AG001P7N

1571-36-4 | Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(3,4-dihydroxyphenyl)diazenyl]-, ammonium salt (1:2)

AG001P7N

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CAS Number	1571-36-4
Catalog Number	AG001P7N(AGN-PC-0Q77ZW)
Chemical Name	Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(3,4-dihydroxyphenyl)diazenyl]-, ammonium salt (1:2)
EC Number	216-389-7
IUPAC Name	azane;5-[(3,4-dihydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(3,4-dihydroxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
InChI	InChI=1S/C26H20N4O10S2.2H3N/c31-21-9-7-17(11-23(21)33)27-29-19-5-3-15(25(13-19)41(35,36)37)1-2-16-4-6-20(14-26(16)42(38,39)40)30-28-18-8-10-22(32)24(34)12-18;;/h1-14,31-34H,(H,35,36,37)(H,38,39,40);2*1H3/b2-1+,29-27?,30-28?;;
InChI Key	BTVLOQLIWTZBDD-ZFEDVODKSA-N
MDL Number	MFCD00045752
Molecular Formula	C26H26N6O10S2
Molecular Weight	646.6488
SMILES	O=S(C1=C(/C=C/C2=C(S(=O)([O-])=O)C=C(/N=N/C3=CC=C(O)C(O)=C3)C=C2)C=CC(/N=N/C4=CC=C(O)C(O)=C4)=C1)([O-])=O.[NH4+].[NH4+]
Synonyms	STILBAZO, 1571-36-4, Stilbene-4,4'-bis[(1-azo)-3,4-dihydroxybenzene]-2,2'-disulfonic Acid Diammonium Salt, SCHEMBL1059516, SCHEMBL1059524, 6736AF, MFCD00045752, C26H20N4O10S2.2NH3, Ammonium 6,6-(ethene-1,2-diyl)bis(3-((3,4-dihydroxyphenyl)diazenyl)benzenesulfonate), EINECS 216-389-7, C26H20N4O10S2.2H3N, C26-H20-N4-O10-S2.2H3-N, Diammonium 4,4'-bis((3,4-dihydroxyphenyl)azo)stilbene-2,2'-disulphonate, Diammonium 4,4'-bis[(3,4-dihydroxyphenyl)azo]stilbene-2,2'-disulphonate,

Complexity	1110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	646.115g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	646.646g/mol
Monoisotopic Mass	646.115g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	258A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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