5-[(2Z)-2-(7-azanyl-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene)hydrazinyl]-1-[(2-carboxyphenyl)diazenyl]-8-methoxy-naphthalene-2-carboxylic acid

Systemtic Name: 5-[(2Z)-2-(7-azanyl-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene)hydrazinyl]-1-[(2-carboxyphenyl)diazenyl]-8-methoxy-naphthalene-2-carboxylic acid Openeye Name: 5-[(2Z)-2-(7-amino-1-oxo-3-sulfo-2-naphthylidene)hydrazino]-1-(2-carboxyphenyl)azo-8-methoxy-naphthalene-2-carboxylic acid CAS Name: 5-[(2Z)-2-(7-amino-1-oxo-3-sulfo-2-naphthalenylidene)hydrazinyl]-1-(2-carboxyphenyl)azo-8-methoxy-2-naphthalenecarboxylic acid IUPAC Name: 5-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-1-[(2-carboxyphenyl)diazenyl]-8-methoxynaphthalene-2-carboxylic acid Traditional Name: 5-[(N'Z)-N'-(7-amino-1-keto-3-sulfo-2-naphthylidene)hydrazino]-1-(2-carboxyphenyl)azo-8-methoxy-2-naphthoic acid Formula: C29H21N5O9S MolecularWeight: 615.57014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)NN=C3C(=CC4=C(C3=O)C=C(C=C4)N)S(=O)(=O)O)C=CC(=C2N=NC5=CC=CC=C5C(=O)O)C(=O)O

Isomeric SMILES

COC1=C2C(=C(C=C1)N/N=C/3\C(=CC4=C(C3=O)C=C(C=C4)N)S(=O)(=O)O)C=CC(=C2N=NC5=CC=CC=C5C(=O)O)C(=O)O

InChI

InChI=1S/C29H21N5O9S/c1-43-22-11-10-21(32-34-26-23(44(40,41)42)12-14-6-7-15(30)13-19(14)27(26)35)16-8-9-18(29(38)39)25(24(16)22)33-31-20-5-3-2-4-17(20)28(36)37/h2-13,32H,30H2,1H3,(H,36,37)(H,38,39)(H,40,41,42)/b33-31?,34-26+