methyl-(2-oxidanyl-2,2-diphosphono-ethyl)-(3-phenoxypropyl)sulfanium

Systemtic Name: methyl-(2-oxidanyl-2,2-diphosphono-ethyl)-(3-phenoxypropyl)sulfanium Openeye Name: (2-hydroxy-2,2-diphosphono-ethyl)-methyl-(3-phenoxypropyl)sulfonium CAS Name: (2-hydroxy-2,2-diphosphonoethyl)-methyl-(3-phenoxypropyl)sulfonium IUPAC Name: (2-hydroxy-2,2-diphosphonoethyl)-methyl-(3-phenoxypropyl)sulfanium Traditional Name: (2-hydroxy-2,2-diphosphono-ethyl)-methyl-(3-phenoxypropyl)sulfonium Formula: C12H21O8P2S+ MolecularWeight: 387.302862

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCCOC1=CC=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C[S+](CCCOC1=CC=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H20O8P2S/c1-23(9-5-8-20-11-6-3-2-4-7-11)10-12(13,21(14,15)16)22(17,18)19/h2-4,6-7,13H,5,8-10H2,1H3,(H3-,14,15,16,17,18,19)/p+1