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

Systemtic Name: 4-[2-(3-ethanoylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(3-acetylphenyl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(3-acetylphenyl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(3-acetylphenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[2-(3-acetylphenyl)-1,3-diketo-isoindolin-5-yl]sulfonylbenzoic acid Formula: C23H15NO7S MolecularWeight: 449.4327

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H15NO7S/c1-13(25)15-3-2-4-16(11-15)24-21(26)19-10-9-18(12-20(19)22(24)27)32(30,31)17-7-5-14(6-8-17)23(28)29/h2-12H,1H3,(H,28,29)