[1,2-bis(oxidanyl)-1-oxidanylidene-3-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]propan-2-yl]-oxidanyl-phosphinate

Systemtic Name: [1,2-bis(oxidanyl)-1-oxidanylidene-3-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]propan-2-yl]-oxidanyl-phosphinate Openeye Name: [1,2-dihydroxy-2-oxo-1-[[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]methyl]ethyl]-hydroxy-phosphinate CAS Name: [1,2-dihydroxy-3-[1-(2-mercaptoethyl)-3-pyridin-1-iumyl]-1-oxopropan-2-yl]-hydroxyphosphinate IUPAC Name: [1,2-dihydroxy-1-oxo-3-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]propan-2-yl]-hydroxyphosphinate Traditional Name: [1,2-dihydroxy-2-keto-1-[[1-(2-mercaptoethyl)pyridin-1-ium-3-yl]methyl]ethyl]-hydroxy-phosphinate Formula: C10H14NO6PS MolecularWeight: 307.260021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCS)CC(C(=O)O)(O)P(=O)(O)[O-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCS)CC(C(=O)O)(O)P(=O)(O)[O-]

InChI

InChI=1S/C10H14NO6PS/c12-9(13)10(14,18(15,16)17)6-8-2-1-3-11(7-8)4-5-19/h1-3,7,14H,4-6H2,(H3-,12,13,15,16,17,19)