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

Systemtic Name: [1-oxidanyl-3-(3-phenylthiolan-1-ium-1-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-(3-phenyltetrahydrothiophen-1-ium-1-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-(3-phenyl-1-thiolan-1-iumyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-(3-phenylthiolan-1-ium-1-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-(3-phenyltetrahydrothiophen-1-ium-1-yl)-1-phosphono-propyl]phosphonic acid Formula: C13H21O7P2S+ MolecularWeight: 383.314162

Click to see the large picture

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)/p+1