disodium (6Z)-4-azanyl-5-oxidanylidene-3-[[4-[[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

Systemtic Name: disodium (6Z)-4-azanyl-5-oxidanylidene-3-[[4-[[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Openeye Name: disodium (6Z)-4-amino-5-oxo-3-[4-[[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]carbamoyl]phenyl]azo-6-(phenylhydrazono)naphthalene-2,7-disulfonate CAS Name: disodium (6Z)-4-amino-5-oxo-3-[4-[oxo-[4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]anilino]methyl]phenyl]azo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate IUPAC Name: disodium (6Z)-4-amino-5-oxo-3-[[4-[[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Traditional Name: disodium (6Z)-4-amino-5-keto-3-[4-[[4-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]carbamoyl]phenyl]azo-6-(phenylhydrazono)naphthalene-2,7-disulfonate Formula: C35H24N8Na2O9S2 MolecularWeight: 810.7228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)NN=C6C=CC(=O)C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)NN=C6C=CC(=O)C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C35H26N8O9S2.2Na/c36-31-30-21(19-29(54(50,51)52)33(34(30)45)43-40-23-4-2-1-3-5-23)18-28(53(47,48)49)32(31)42-41-24-8-6-20(7-9-24)35(46)37-22-10-12-25(13-11-22)38-39-26-14-16-27(44)17-15-26;;/h1-19,38,40H,36H2,(H,37,46)(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2/b42-41?,43-33+;;