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

Systemtic Name: 3-(4-azidophenyl)-2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-sulfo-propanedithioate Openeye Name: 3-(4-azidophenyl)-2-(2,5-dioxopyrrolidin-1-yl)-2-sulfo-propanedithioate CAS Name: 3-(4-azidophenyl)-2-(2,5-dioxo-1-pyrrolidinyl)-2-sulfopropanedithioate IUPAC Name: 3-(4-azidophenyl)-2-(2,5-dioxopyrrolidin-1-yl)-2-sulfopropanedithioate Traditional Name: 3-(4-azidophenyl)-2-succinimido-2-sulfo-propanedithioate Formula: C13H11N4O5S3- MolecularWeight: 399.44524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)C(CC2=CC=C(C=C2)N=[N+]=[N-])(C(=S)[S-])S(=O)(=O)O

Isomeric SMILES

C1CC(=O)N(C1=O)C(CC2=CC=C(C=C2)N=[N+]=[N-])(C(=S)[S-])S(=O)(=O)O

InChI

InChI=1S/C13H12N4O5S3/c14-16-15-9-3-1-8(2-4-9)7-13(12(23)24,25(20,21)22)17-10(18)5-6-11(17)19/h1-4H,5-7H2,(H,23,24)(H,20,21,22)/p-1