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

Systemtic Name: 5-[3-(carboxymethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-(carboxymethylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-(carboxymethylthio)-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-(carboxymethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-(carboxymethylthio)-2,5-diketo-pyrrolidino]isophthalic acid Formula: C14H11NO8S MolecularWeight: 353.30404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO8S/c16-10-4-9(24-5-11(17)18)12(19)15(10)8-2-6(13(20)21)1-7(3-8)14(22)23/h1-3,9H,4-5H2,(H,17,18)(H,20,21)(H,22,23)