2-[(2Z)-2-[(5E)-5-[(2-carboxy-4-sulfo-phenyl)hydrazinylidene]-4,6-bis(oxidanylidene)-3-[oxidanyl(phenyl)methyl]cyclohex-2-en-1-ylidene]hydrazinyl]-5-sulfo-benzoic acid

Systemtic Name: 2-[(2Z)-2-[(5E)-5-[(2-carboxy-4-sulfo-phenyl)hydrazinylidene]-4,6-bis(oxidanylidene)-3-[oxidanyl(phenyl)methyl]cyclohex-2-en-1-ylidene]hydrazinyl]-5-sulfo-benzoic acid Openeye Name: 2-[(2Z)-2-[(5E)-5-[(2-carboxy-4-sulfo-phenyl)hydrazono]-3-[hydroxy(phenyl)methyl]-4,6-dioxo-cyclohex-2-en-1-ylidene]hydrazino]-5-sulfo-benzoic acid CAS Name: 2-[(2Z)-2-[(5E)-5-[(2-carboxy-4-sulfophenyl)hydrazinylidene]-3-[hydroxy(phenyl)methyl]-4,6-dioxo-1-cyclohex-2-enylidene]hydrazinyl]-5-sulfobenzoic acid IUPAC Name: 2-[(2Z)-2-[(5E)-5-[(2-carboxy-4-sulfophenyl)hydrazinylidene]-3-[hydroxy(phenyl)methyl]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]-5-sulfobenzoic acid Traditional Name: 2-[(N'Z)-N'-[(5E)-5-[(2-carboxy-4-sulfo-phenyl)hydrazono]-3-[hydroxy(phenyl)methyl]-4,6-diketo-cyclohex-2-en-1-ylidene]hydrazino]-5-sulfo-benzoic acid Formula: C27H20N4O13S2 MolecularWeight: 672.5967

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC(=NNC3=C(C=C(C=C3)S(=O)(=O)O)C(=O)O)C(=O)C(=NNC4=C(C=C(C=C4)S(=O)(=O)O)C(=O)O)C2=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=C/C(=N/NC3=C(C=C(C=C3)S(=O)(=O)O)C(=O)O)/C(=O)/C(=N/NC4=C(C=C(C=C4)S(=O)(=O)O)C(=O)O)/C2=O)O

InChI

InChI=1S/C27H20N4O13S2/c32-23(13-4-2-1-3-5-13)18-12-21(30-28-19-8-6-14(45(39,40)41)10-16(19)26(35)36)25(34)22(24(18)33)31-29-20-9-7-15(46(42,43)44)11-17(20)27(37)38/h1-12,23,28-29,32H,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/b30-21-,31-22+