[2-[[(Z)-1-cyano-2-phenyl-2-(phenylcarbonyloxy)ethenyl]diazenyl]-4-sulfonyl-cyclohexa-1,5-dien-1-yl] benzoate

Systemtic Name: [2-[[(Z)-1-cyano-2-phenyl-2-(phenylcarbonyloxy)ethenyl]diazenyl]-4-sulfonyl-cyclohexa-1,5-dien-1-yl] benzoate Openeye Name: [2-[(Z)-2-benzoyloxy-1-cyano-2-phenyl-vinyl]azo-4-sulfonyl-cyclohexa-1,5-dien-1-yl] benzoate CAS Name: benzoic acid [2-[(Z)-2-benzoyloxy-1-cyano-2-phenylethenyl]azo-4-sulfonyl-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [2-[[(Z)-2-benzoyloxy-1-cyano-2-phenylethenyl]diazenyl]-4-sulfonylcyclohexa-1,5-dien-1-yl] benzoate Traditional Name: benzoic acid [2-[(Z)-2-benzoyloxy-1-cyano-2-phenyl-vinyl]azo-4-sulfonyl-cyclohexa-1,5-dien-1-yl] ester Formula: C29H19N3O6S MolecularWeight: 537.54266

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=S(=O)=O)C=CC(=C1N=NC(=C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C#N)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(=S(=O)=O)C=CC(=C1N=N/C(=C(/C2=CC=CC=C2)\OC(=O)C3=CC=CC=C3)/C#N)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H19N3O6S/c30-19-25(27(20-10-4-1-5-11-20)38-29(34)22-14-8-3-9-15-22)32-31-24-18-23(39(35)36)16-17-26(24)37-28(33)21-12-6-2-7-13-21/h1-17H,18H2/b27-25-,32-31?