4-[1,3-bis(oxidanylidene)-2-(2-phenylphenyl)isoindol-5-yl]sulfonylbenzoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-(2-phenylphenyl)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[1,3-dioxo-2-(2-phenylphenyl)isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[1,3-dioxo-2-(2-phenylphenyl)-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[1,3-diketo-2-(2-phenylphenyl)isoindolin-5-yl]sulfonylbenzoic acid Formula: C27H17NO6S MolecularWeight: 483.49198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H17NO6S/c29-25-22-15-14-20(35(33,34)19-12-10-18(11-13-19)27(31)32)16-23(22)26(30)28(25)24-9-5-4-8-21(24)17-6-2-1-3-7-17/h1-16H,(H,31,32)