3-(4-azidophenyl)sulfanyl-2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-sulfo-propanoate

Systemtic Name: 3-(4-azidophenyl)sulfanyl-2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-sulfo-propanoate Openeye Name: 3-(4-azidophenyl)sulfanyl-2-(2,5-dioxopyrrolidin-1-yl)-2-sulfo-propanoate CAS Name: 3-[(4-azidophenyl)thio]-2-(2,5-dioxo-1-pyrrolidinyl)-2-sulfopropanoate IUPAC Name: 3-(4-azidophenyl)sulfanyl-2-(2,5-dioxopyrrolidin-1-yl)-2-sulfopropanoate Traditional Name: 3-[(4-azidophenyl)thio]-2-succinimido-2-sulfo-propionate Formula: C13H11N4O7S2- MolecularWeight: 399.37904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)C(CSC2=CC=C(C=C2)N=[N+]=[N-])(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1CC(=O)N(C1=O)C(CSC2=CC=C(C=C2)N=[N+]=[N-])(C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C13H12N4O7S2/c14-16-15-8-1-3-9(4-2-8)25-7-13(12(20)21,26(22,23)24)17-10(18)5-6-11(17)19/h1-4H,5-7H2,(H,20,21)(H,22,23,24)/p-1