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

Systemtic Name: 4-[2-(2,4-dimethylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(2,4-dimethylphenyl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(2,4-dimethylphenyl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(2,4-dimethylphenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[2-(2,4-dimethylphenyl)-1,3-diketo-isoindolin-5-yl]sulfonylbenzoic acid Formula: C23H17NO6S MolecularWeight: 435.44918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C23H17NO6S/c1-13-3-10-20(14(2)11-13)24-21(25)18-9-8-17(12-19(18)22(24)26)31(29,30)16-6-4-15(5-7-16)23(27)28/h3-12H,1-2H3,(H,27,28)