S-[5-[[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]oxolan-3-yl] ethanethioate hydroxide

Systemtic Name: S-[5-[[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]oxolan-3-yl] ethanethioate hydroxide Openeye Name: S-[5-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ethanethioate hydroxide CAS Name: ethanethioic acid S-[5-[[hydroxy-[2-(1-pyridin-1-iumyl)ethoxy]phosphoryl]oxymethyl]-3-oxolanyl] ester hydroxide IUPAC Name: S-[5-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]oxolan-3-yl] ethanethioate hydroxide Traditional Name: ethanethioic acid S-[5-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester hydroxide Formula: C14H22NO7PS MolecularWeight: 379.365741

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(OC1)COP(=O)(O)OCC[N+]2=CC=CC=C2.[OH-]

Isomeric SMILES

CC(=O)SC1CC(OC1)COP(=O)(O)OCC[N+]2=CC=CC=C2.[OH-]

InChI

InChI=1S/C14H20NO6PS.H2O/c1-12(16)23-14-9-13(19-11-14)10-21-22(17,18)20-8-7-15-5-3-2-4-6-15;/h2-6,13-14H,7-11H2,1H3;1H2