AG0039KQ

28983-56-4 | Benzenesulfonic acid,[[4-[bis[4-[(sulfophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]-,sodium salt (1:2)

AG0039KQ

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CAS Number	28983-56-4
Catalog Number	AG0039KQ(AGN-PC-0R4QY3)
Chemical Name	Benzenesulfonic acid,[[4-[bis[4-[(sulfophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]-,sodium salt (1:2)
EC Number	249-352-9
IUPAC Name	disodium;4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfonatophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonate
InChI	InChI=1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2
InChI Key	MCPLVIGCWWTHFH-UHFFFAOYSA-L
MDL Number	MFCD00058509
Molecular Formula	C37H27N3Na2O9S3
Molecular Weight	799.7995
SMILES	[O-]S(C(C=C1)=CC=C1/[NH+]=C(C=C/2)/C=CC2=C(C3=CC=C(NC4=CC=C(S(=O)(O[Na])=O)C=C4)C=C3)/C5=CC=C(NC6=CC=C(S(=O)(O[Na])=O)C=C6)C=C5)(=O)=O
Synonyms	Acid Blue 93, disodium ((4-(bis(4-((sulphonatophenyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)amino)benzenesulphonate, Methyl Blue, Methyl Blue, Acid Blue 93, Cotton blue, 28983-56-4, Poirriers blue, Acid Blue 93, Aniline Blue, MFCD00058509, C.I. 42780, Methyl Blue (C.I. 42780), Disodium [[4-[bis[4-[(sulphonatophenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulphonate, Disodium 4-((4-(bis(4-((4-sulphonatophenyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)amino)benzenesulphonate, AYOAA paragraph sign, AThornA paragraph sign, water blue for microscopy, A<<E(R)A paragraph sign, EaEthOA paragraph sign 93, C28H34Cl2F2N2O, DTXSID80214360, AKOS015903126, R625, FT-0622389, I14-18719, Methyl Blue, certified by the Biological Stain Commission, Methyl Blue, for microscopy (Bot., Hist.), indicator (pH 9.4-14.0), Benzenesulfonic acid,[[4-[bis[4-[(sulfophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]-,sodium salt (1:2), dipotassium 4-{[4-({4-[(4-sulfonatophenyl)imino]cyclohexa-2,5-dien-1-ylidene}({4-[(4-sulfophenyl)amino]phenyl})methyl)phenyl]amino}benzenesulfonate, disodium 4-{[4-({4-[(4-sulfonatophenyl)amino]phenyl}({4-[(4-sulfophenyl)amino]phenyl})methylidene)cyclohexa-2,5-dien-1-ylidene]amino}benzenesulfonate, sodium 4-(4-((4-(4-sulfonatophenylamino)phenyl)(4-(4-sulfophenylamino)phenyl)methylene)cyclohexa-2,5-dienylideneamino)benzenesulfonate, Water Blue, Helvetia Blue, Soluble Blue, Helvetia Blue I, Vanoxerine 2HCl, Ink Blue, Ink Blue Special, Water Blue B, AcidBlue93, Soluble Blue 8B, Water Blue IN, Silk Blue H, Ink Blue BA, Ink Blue G, Ink Blue M, Ink Blue N, Sky Blue G, Ink Blue BJT, Ink Blue WGS, Ink Blue WRS, Ink Blue BJTN, Modr Kysela 93, Pure Soluble Blue I, Helvetia Blue Pure I, Methyl Blue (6CI), Brilliant Lake Blue G, Solar Soluble Blue BN, Acid Leather Blue HER, Ink Blue BJTBN 80, Special Soluble Blue HT, Ink Blue BJTBNA 80, Orient Soluble Blue OBB, Orient Soluble Blue OBC, UNII-9ZI2A1BMBB, C.I. Acid Blue 93, Aniline Blue water soluble, Modr Kysela 93 [Czech], Methyl Blue - 25G 25g, Methyl Blue (biological stain), C37H27N3O9S3.2Na, C37H29N3O9S3.2Na, Water Blue I Old Type 1240A, EINECS 229-121-9, EINECS 249-352-9, C.I. Acid Blue 93, disodium salt, sodium triphenyl-p-rosanilinetrisulfate, C37-H29-N3-O9-S3.2Na, Methyl Blue C. I. No. 42780 for microscopy 25gm, +/-(1/2) degrees .A paragraph sign pound E(R)EU pound(c), Aniline Blue W/S C. I. No. 42780 (Water Soluble) 10gm, 6415-98-1, 67469-78-7, Benzenesulfonic acid, [[4-[bis[4-[(sulfophenyl) amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene ]amino]-, disodium salt, Benzenesulfonic acid, [[4-[bis[4-[(sulfophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]-, disodium salt, Benzenesulfonic acid, 4-[[4-[bis[4-[(4-sulfophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]-, disodium salt, Disodium 4-[[4-[bis[4-[(4-sulphonatophenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulphonate,

Complexity	1620
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	799.07g/mol
Formal Charge	0
Heavy Atom Count	54
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	799.795g/mol
Monoisotopic Mass	799.07g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	230A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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