4-[2,5-bis(oxidanylidene)-3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[2,5-bis(oxidanylidene)-3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[3-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 4-[3-[(1-hydroxy-1-oxopropan-2-yl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[3-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 4-[3-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-2,5-diketo-pyrrolidino]benzoic acid Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C(=O)O)SC1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13NO6S/c1-7(13(18)19)22-10-6-11(16)15(12(10)17)9-4-2-8(3-5-9)14(20)21/h2-5,7,10H,6H2,1H3,(H,18,19)(H,20,21)