[1-oxidanyl-2-(3-phenylthiolan-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-oxidanyl-2-(3-phenylthiolan-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(3-phenyltetrahydrothiophen-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-(3-phenyl-1-thiolan-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(3-phenylthiolan-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(3-phenyltetrahydrothiophen-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C12H19O7P2S+ MolecularWeight: 369.287582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O7P2S/c13-12(20(14,15)16,21(17,18)19)9-22-7-6-11(8-22)10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H3-,14,15,16,17,18,19)/p+1