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

Systemtic Name: 5-[2,5-bis(oxidanylidene)-3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-[(1-hydroxy-1-oxopropan-2-yl)thio]-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-2,5-diketo-pyrrolidino]isophthalic acid Formula: C15H13NO8S MolecularWeight: 367.33062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO8S/c1-6(13(19)20)25-10-5-11(17)16(12(10)18)9-3-7(14(21)22)2-8(4-9)15(23)24/h2-4,6,10H,5H2,1H3,(H,19,20)(H,21,22)(H,23,24)