methyl-(3-oxidanyl-3,3-diphosphono-propyl)-phenethyl-sulfanium

Systemtic Name: methyl-(3-oxidanyl-3,3-diphosphono-propyl)-phenethyl-sulfanium Openeye Name: (3-hydroxy-3,3-diphosphono-propyl)-methyl-phenethyl-sulfonium CAS Name: (3-hydroxy-3,3-diphosphonopropyl)-methyl-phenethylsulfonium IUPAC Name: (3-hydroxy-3,3-diphosphonopropyl)-methyl-phenethylsulfanium Traditional Name: (3-hydroxy-3,3-diphosphono-propyl)-methyl-phenethyl-sulfonium Formula: C12H21O7P2S+ MolecularWeight: 371.303462

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C[S+](CCC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H20O7P2S/c1-22(9-7-11-5-3-2-4-6-11)10-8-12(13,20(14,15)16)21(17,18)19/h2-6,13H,7-10H2,1H3,(H3-,14,15,16,17,18,19)/p+1