methyl-(3-oxidanyl-3,3-diphosphono-propyl)-phenylsulfanyl-propyl-azanium

Systemtic Name: methyl-(3-oxidanyl-3,3-diphosphono-propyl)-phenylsulfanyl-propyl-azanium Openeye Name: (3-hydroxy-3,3-diphosphono-propyl)-methyl-phenylsulfanyl-propyl-ammonium CAS Name: (3-hydroxy-3,3-diphosphonopropyl)-methyl-(phenylthio)-propylammonium IUPAC Name: (3-hydroxy-3,3-diphosphonopropyl)-methyl-phenylsulfanyl-propylazanium Traditional Name: (3-hydroxy-3,3-diphosphono-propyl)-methyl-(phenylthio)-propyl-ammonium Formula: C13H24NO7P2S+ MolecularWeight: 400.344682

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(CCC(O)(P(=O)(O)O)P(=O)(O)O)SC1=CC=CC=C1

Isomeric SMILES

CCC[N+](C)(CCC(O)(P(=O)(O)O)P(=O)(O)O)SC1=CC=CC=C1

InChI

InChI=1S/C13H23NO7P2S/c1-3-10-14(2,24-12-7-5-4-6-8-12)11-9-13(15,22(16,17)18)23(19,20)21/h4-8,15H,3,9-11H2,1-2H3,(H3-,16,17,18,19,20,21)/p+1