3-[3-(carboxymethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 3-[3-(carboxymethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 3-[3-(carboxymethylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 3-[3-(carboxymethylthio)-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 3-[3-(carboxymethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 3-[3-(carboxymethylthio)-2,5-diketo-pyrrolidino]benzoic acid Formula: C13H11NO6S MolecularWeight: 309.29454

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)SCC(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)SCC(=O)O

InChI

InChI=1S/C13H11NO6S/c15-10-5-9(21-6-11(16)17)12(18)14(10)8-3-1-2-7(4-8)13(19)20/h1-4,9H,5-6H2,(H,16,17)(H,19,20)