AG003NO9

6408-57-7 | ACID GREEN 27 (C.I. 61580)

AG003NO9

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CAS Number	6408-57-7
Catalog Number	AG003NO9(AGN-PC-0TBDQK)
Chemical Name	ACID GREEN 27 (C.I. 61580)
EC Number	229-061-3
IUPAC Name	disodium;5-butyl-2-[[4-(4-butyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate
InChI	InChI=1S/C34H34N2O8S2.2Na/c1-3-5-9-21-13-15-25(29(19-21)45(39,40)41)35-27-17-18-28(32-31(27)33(37)23-11-7-8-12-24(23)34(32)38)36-26-16-14-22(10-6-4-2)20-30(26)46(42,43)44;;/h7-8,11-20,35-36H,3-6,9-10H2,1-2H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
InChI Key	BOXAUJCFZBSNKZ-UHFFFAOYSA-L
MDL Number	MFCD00001196
Molecular Formula	C34H32N2Na2O8S2
Molecular Weight	706.7360
SMILES	O=C(C1=C2C=CC=C1)C3=C(NC4=CC=C(CCCC)C=C4S(=O)([O-])=O)C=CC(NC5=CC=C(CCCC)C=C5S(=O)([O-])=O)=C3C2=O.[Na+].[Na+]
Synonyms	Acid Green 27, 6408-57-7, disodium 2,2'-[(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)diimino]bis(5-butylbenzenesulfonate), C.I. Acid green 27, EINECS 229-061-3, C.I.Acid Green 27, AC1Q1UTT, C.I. 61580, C34H32N2Na2O8S2, AC1L306R, SCHEMBL2861771, CTK8D9359, s436, MFCD00001196, AKOS015889566, Disodium 2,2'-(9,10-dioxoanthracene-1,4-diyldiimino)bis(5-butylbenzenesulphonate), Benzenesulfonic acid, 2,2'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino)bis(5-butyl-, disodium salt, Benzenesulfonic acid, 2,2'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino)bis(5-butyl-, sodium salt (1:2), ACID GREEN 27 (C.I. 61580), W-110134, I01-19826, disodium 5-butyl-2-[[4-(4-butyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate, sodium 6,6'-(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)bis(azanediyl)bis(3-butylbenzenesulfonate), C34H34N2O8S2.2Na, CID80837, AR-1I6380, C34-H34-N2-O8-S2.2Na, A1863, 72349-14-5, Benzenesulfonic acid, 2,2'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[5-butyl-, disodium salt, Benzenesulfonic acid, 2,2'-(1,4-anthraquinonylenediimino)bis[5-butyl-, disodium salt, Disodium 2,2'-(9,10-dioxoanthracene-1,4-diyldiimino)bis(5-butylbenzenesulphonate, Benzenesulfonic acid, 2,2'-[(9,10-dihydro-9,10- dioxo-1,4-anthracenediyl)diimino]bis[5-butyl-, disodium salt, Benzenesulfonic acid, 2,2'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[5-butyl-, sodium salt (1:2),

Complexity	1150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	706.14g/mol
Formal Charge	0
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	706.736g/mol
Monoisotopic Mass	706.14g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	189A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H412
Packing Group	\N
Precautionary statements	P273-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number