1-[4-[(5-nitropyridin-2-yl)disulfanyl]pentanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid

Systemtic Name: 1-[4-[(5-nitropyridin-2-yl)disulfanyl]pentanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[4-[(5-nitro-2-pyridyl)disulfanyl]pentanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[4-[(5-nitro-2-pyridinyl)disulfanyl]-1-oxopentoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[4-[(5-nitropyridin-2-yl)disulfanyl]pentanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 2,5-diketo-1-[4-[(5-nitro-2-pyridyl)disulfanyl]pentanoyloxy]pyrrolidine-3-sulfonic acid Formula: C14H15N3O9S3 MolecularWeight: 465.4786

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O)SSC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O)SSC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O9S3/c1-8(27-28-11-4-3-9(7-15-11)17(21)22)2-5-13(19)26-16-12(18)6-10(14(16)20)29(23,24)25/h3-4,7-8,10H,2,5-6H2,1H3,(H,23,24,25)