oxidanyl-[1-oxidanyl-3-(3-phenylthiolan-1-ium-1-yl)-1-phosphono-propyl]phosphinate

Systemtic Name: oxidanyl-[1-oxidanyl-3-(3-phenylthiolan-1-ium-1-yl)-1-phosphono-propyl]phosphinate Openeye Name: hydroxy-[1-hydroxy-3-(3-phenyltetrahydrothiophen-1-ium-1-yl)-1-phosphono-propyl]phosphinate CAS Name: hydroxy-[1-hydroxy-3-(3-phenyl-1-thiolan-1-iumyl)-1-phosphonopropyl]phosphinate IUPAC Name: hydroxy-[1-hydroxy-3-(3-phenylthiolan-1-ium-1-yl)-1-phosphonopropyl]phosphinate Traditional Name: hydroxy-[1-hydroxy-3-(3-phenyltetrahydrothiophen-1-ium-1-yl)-1-phosphono-propyl]phosphinate Formula: C13H20O7P2S MolecularWeight: 382.306222

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Descriptors Computed from Structure

Canonical SMILES:

C1C[S+](CC1C2=CC=CC=C2)CCC(O)(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

C1C[S+](CC1C2=CC=CC=C2)CCC(O)(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C13H20O7P2S/c14-13(21(15,16)17,22(18,19)20)7-9-23-8-6-12(10-23)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H3-,15,16,17,18,19,20)