2-[5-(4-chloranylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[5-(4-chloranylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[5-(4-chlorophenoxy)-1,3-dioxo-isoindolin-2-yl]-4-methylsulfonyl-butanoic acid CAS Name: 2-[5-(4-chlorophenoxy)-1,3-dioxo-2-isoindolyl]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[5-(4-chlorophenoxy)-1,3-dioxoisoindol-2-yl]-4-methylsulfonylbutanoic acid Traditional Name: 2-[5-(4-chlorophenoxy)-1,3-diketo-isoindolin-2-yl]-4-mesyl-butyric acid Formula: C19H16ClNO7S MolecularWeight: 437.85084

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClNO7S/c1-29(26,27)9-8-16(19(24)25)21-17(22)14-7-6-13(10-15(14)18(21)23)28-12-4-2-11(20)3-5-12/h2-7,10,16H,8-9H2,1H3,(H,24,25)