8-[(2Z)-2-(7-azanyl-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene)hydrazinyl]-5-[(2-carboxy-4-methyl-phenyl)diazenyl]naphthalene-2-carboxylic acid

Systemtic Name: 8-[(2Z)-2-(7-azanyl-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene)hydrazinyl]-5-[(2-carboxy-4-methyl-phenyl)diazenyl]naphthalene-2-carboxylic acid Openeye Name: 8-[(2Z)-2-(7-amino-1-oxo-3-sulfo-2-naphthylidene)hydrazino]-5-(2-carboxy-4-methyl-phenyl)azo-naphthalene-2-carboxylic acid CAS Name: 8-[(2Z)-2-(7-amino-1-oxo-3-sulfo-2-naphthalenylidene)hydrazinyl]-5-(2-carboxy-4-methylphenyl)azo-2-naphthalenecarboxylic acid IUPAC Name: 8-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-5-[(2-carboxy-4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid Traditional Name: 8-[(N'Z)-N'-(7-amino-1-keto-3-sulfo-2-naphthylidene)hydrazino]-5-(2-carboxy-4-methyl-phenyl)azo-2-naphthoic acid Formula: C29H21N5O8S MolecularWeight: 599.57074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)NN=C4C(=CC5=C(C4=O)C=C(C=C5)N)S(=O)(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N/N=C/4\C(=CC5=C(C4=O)C=C(C=C5)N)S(=O)(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C29H21N5O8S/c1-14-2-7-24(21(10-14)29(38)39)32-31-22-8-9-23(20-11-16(28(36)37)4-6-18(20)22)33-34-26-25(43(40,41)42)12-15-3-5-17(30)13-19(15)27(26)35/h2-13,33H,30H2,1H3,(H,36,37)(H,38,39)(H,40,41,42)/b32-31?,34-26+