4-[[1-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]-3-nitro-2H-pyridin-6-yl]disulfanyl]-4-methyl-pentanoate

Systemtic Name: 4-[[1-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]-3-nitro-2H-pyridin-6-yl]disulfanyl]-4-methyl-pentanoate Openeye Name: 4-[[1-(2,5-dioxo-3-sulfo-pyrrolidin-1-yl)-3-nitro-2H-pyridin-6-yl]disulfanyl]-4-methyl-pentanoate CAS Name: 4-[[1-(2,5-dioxo-3-sulfo-1-pyrrolidinyl)-3-nitro-2H-pyridin-6-yl]disulfanyl]-4-methylpentanoate IUPAC Name: 4-[[1-(2,5-dioxo-3-sulfopyrrolidin-1-yl)-3-nitro-2H-pyridin-6-yl]disulfanyl]-4-methylpentanoate Traditional Name: 4-[[1-(2,5-diketo-3-sulfo-pyrrolidino)-3-nitro-2H-pyridin-6-yl]disulfanyl]-4-methyl-valerate Formula: C15H18N3O9S3- MolecularWeight: 480.51312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(=O)[O-])SSC1=CC=C(CN1N2C(=O)CC(C2=O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CCC(=O)[O-])SSC1=CC=C(CN1N2C(=O)CC(C2=O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O9S3/c1-15(2,6-5-13(20)21)29-28-12-4-3-9(18(23)24)8-16(12)17-11(19)7-10(14(17)22)30(25,26)27/h3-4,10H,5-8H2,1-2H3,(H,20,21)(H,25,26,27)/p-1