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

Systemtic Name: 4-[2-(2-acetyloxy-5-chloranyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(2-acetoxy-5-chloro-phenyl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(2-acetyloxy-5-chlorophenyl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(2-acetyloxy-5-chlorophenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[2-(2-acetoxy-5-chloro-phenyl)-1,3-diketo-isoindolin-5-yl]sulfonylbenzoic acid Formula: C23H14ClNO8S MolecularWeight: 499.87716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)Cl)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)OC1=C(C=C(C=C1)Cl)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H14ClNO8S/c1-12(26)33-20-9-4-14(24)10-19(20)25-21(27)17-8-7-16(11-18(17)22(25)28)34(31,32)15-5-2-13(3-6-15)23(29)30/h2-11H,1H3,(H,29,30)