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

Systemtic Name: 3-[1-(carboxymethylamino)-2,5-bis(oxidanylidene)-3-sulfanylidene-pyrrolidin-1-ium-1-yl]benzoic acid Openeye Name: 3-[1-(carboxymethylamino)-2,5-dioxo-3-thioxo-pyrrolidin-1-ium-1-yl]benzoic acid CAS Name: 3-[1-(carboxymethylamino)-2,5-dioxo-3-sulfanylidene-1-pyrrolidin-1-iumyl]benzoic acid IUPAC Name: 3-[1-(carboxymethylamino)-2,5-dioxo-3-sulfanylidenepyrrolidin-1-ium-1-yl]benzoic acid Traditional Name: 3-[1-(carboxymethylamino)-2,5-diketo-3-thioxo-pyrrolidin-1-ium-1-yl]benzoic acid Formula: C13H11N2O6S+ MolecularWeight: 323.30124

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=S)C(=O)[N+](C1=O)(C2=CC=CC(=C2)C(=O)O)NCC(=O)O

Isomeric SMILES

C1C(=S)C(=O)[N+](C1=O)(C2=CC=CC(=C2)C(=O)O)NCC(=O)O

InChI

InChI=1S/C13H10N2O6S/c16-10-5-9(22)12(19)15(10,14-6-11(17)18)8-3-1-2-7(4-8)13(20)21/h1-4,14H,5-6H2,(H-,17,18,20,21)/p+1