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

Systemtic Name: 4-[2-(2-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(2-ethoxyphenyl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(2-ethoxyphenyl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(2-ethoxyphenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-(1,3-diketo-2-o-phenetyl-isoindolin-5-yl)sulfonylbenzoic acid Formula: C23H17NO7S MolecularWeight: 451.44858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H17NO7S/c1-2-31-20-6-4-3-5-19(20)24-21(25)17-12-11-16(13-18(17)22(24)26)32(29,30)15-9-7-14(8-10-15)23(27)28/h3-13H,2H2,1H3,(H,27,28)