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

Systemtic Name: 4-[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-(2-tert-butyl-1,3-dioxo-isoindolin-5-yl)sulfonylbenzoic acid CAS Name: 4-[(2-tert-butyl-1,3-dioxo-5-isoindolyl)sulfonyl]benzoic acid IUPAC Name: 4-(2-tert-butyl-1,3-dioxoisoindol-5-yl)sulfonylbenzoic acid Traditional Name: 4-(2-tert-butyl-1,3-diketo-isoindolin-5-yl)sulfonylbenzoic acid Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17NO6S/c1-19(2,3)20-16(21)14-9-8-13(10-15(14)17(20)22)27(25,26)12-6-4-11(5-7-12)18(23)24/h4-10H,1-3H3,(H,23,24)