AC1NX4YR

4-hydroxy-5-[(4-methylphenyl)sulfonylamino]-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid

Also Known As: 4-Hydroxy-3-((4-nitrophenyl)azo)-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid|(3Z)-5-[(4-methylphenyl)sulfonylamino]-3-[(4-nitrophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid|(3E)-5-[(4-methylphenyl)sulfonylamino]-3-[(4-nitrophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid|4-Hydroxy-3-[(4-nitrophenyl)azo]-5-[[(p-tolyl)sulfonyl]amino]naphthalene-2,7-disulfonic acid|4-hydroxy-3-[(4-nitrophenyl)azo]-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonic acid|4-hydroxy-5-(4-methylbenzenesulfonamido)-3-[2-(4-nitrophenyl)diazen-1-yl]naphthalene-2,7-disulfonic acid|4-Hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-3-[(4-nitrophenyl)azo]-2,7-naphthalenedisulfonic acid|4-Hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-3-[2-(4-nitrophenyl)diazenyl]-2,7-naphthalenedisulfonic acid

Molecular Formula	C23H18N4O11S3
Molecular Weight	622.0134 g/mol
LogP	3.4
Topological Polar Surface Area	271.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	14
Rotatable Bonds	7
Exact Mass	622.0134
Monoisotopic Mass	622.0134
Heavy Atoms	41
Complexity	1290.0

Chemical Identifiers

CAS Number	85409-49-0
SMILES	CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)O
InChIKey	TXXKONXNGGPOSG-UHFFFAOYSA-N