[3-[methyl(3-phenylsulfanylpropyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[methyl(3-phenylsulfanylpropyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[methyl(3-phenylsulfanylpropyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[methyl-[3-(phenylthio)propyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[methyl(3-phenylsulfanylpropyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[methyl-[3-(phenylthio)propyl]amino]-1-phosphono-propyl]phosphonic acid Formula: C13H23NO7P2S MolecularWeight: 399.336742

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCSC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(CCCSC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H23NO7P2S/c1-14(9-5-11-24-12-6-3-2-4-7-12)10-8-13(15,22(16,17)18)23(19,20)21/h2-4,6-7,15H,5,8-11H2,1H3,(H2,16,17,18)(H2,19,20,21)