methyl-(2-oxidanyl-2,2-diphosphono-ethyl)-(4-phenoxybutyl)sulfanium

Systemtic Name: methyl-(2-oxidanyl-2,2-diphosphono-ethyl)-(4-phenoxybutyl)sulfanium Openeye Name: (2-hydroxy-2,2-diphosphono-ethyl)-methyl-(4-phenoxybutyl)sulfonium CAS Name: (2-hydroxy-2,2-diphosphonoethyl)-methyl-(4-phenoxybutyl)sulfonium IUPAC Name: (2-hydroxy-2,2-diphosphonoethyl)-methyl-(4-phenoxybutyl)sulfanium Traditional Name: (2-hydroxy-2,2-diphosphono-ethyl)-methyl-(4-phenoxybutyl)sulfonium Formula: C13H23O8P2S+ MolecularWeight: 401.329442

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCCCOC1=CC=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C[S+](CCCCOC1=CC=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H22O8P2S/c1-24(11-13(14,22(15,16)17)23(18,19)20)10-6-5-9-21-12-7-3-2-4-8-12/h2-4,7-8,14H,5-6,9-11H2,1H3,(H3-,15,16,17,18,19,20)/p+1