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

Systemtic Name: methyl-(3-oxidanyl-3,3-diphosphono-propyl)-(3-phenoxypropyl)sulfanium Openeye Name: (3-hydroxy-3,3-diphosphono-propyl)-methyl-(3-phenoxypropyl)sulfonium CAS Name: (3-hydroxy-3,3-diphosphonopropyl)-methyl-(3-phenoxypropyl)sulfonium IUPAC Name: (3-hydroxy-3,3-diphosphonopropyl)-methyl-(3-phenoxypropyl)sulfanium Traditional Name: (3-hydroxy-3,3-diphosphono-propyl)-methyl-(3-phenoxypropyl)sulfonium Formula: C13H23O8P2S+ MolecularWeight: 401.329442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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