2-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]-3-(pyridin-2-yldisulfanyl)propanoate

Systemtic Name: 2-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]-3-(pyridin-2-yldisulfanyl)propanoate Openeye Name: 2-(2,5-dioxo-3-sulfo-pyrrolidin-1-yl)-3-(2-pyridyldisulfanyl)propanoate CAS Name: 2-(2,5-dioxo-3-sulfo-1-pyrrolidinyl)-3-(2-pyridinyldisulfanyl)propanoate IUPAC Name: 2-(2,5-dioxo-3-sulfopyrrolidin-1-yl)-3-(pyridin-2-yldisulfanyl)propanoate Traditional Name: 2-(2,5-diketo-3-sulfo-pyrrolidino)-3-(2-pyridyldisulfanyl)propionate Formula: C12H11N2O7S3- MolecularWeight: 391.41994

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C(CSSC2=CC=CC=N2)C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C(CSSC2=CC=CC=N2)C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C12H12N2O7S3/c15-10-5-8(24(19,20)21)11(16)14(10)7(12(17)18)6-22-23-9-3-1-2-4-13-9/h1-4,7-8H,5-6H2,(H,17,18)(H,19,20,21)/p-1