3-[[4-[4-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: 3-[[4-[4-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: 3-[[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]phenyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: 3-[[4-[4-[(1-amino-4-sulfonato-2-naphthalenyl)azo]phenyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: 3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: 3-[[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]phenyl]phenyl]hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylate Formula: C29H19N5O6S-2 MolecularWeight: 565.55606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)NN=C5C=CC(=O)C(=C5)C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)NN=C5C=CC(=O)C(=C5)C(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C29H21N5O6S/c30-28-23-4-2-1-3-22(23)27(41(38,39)40)16-25(28)34-32-20-11-7-18(8-12-20)17-5-9-19(10-6-17)31-33-21-13-14-26(35)24(15-21)29(36)37/h1-16,31H,30H2,(H,36,37)(H,38,39,40)/p-2