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

Systemtic Name: [2-[methyl(3-phenylsulfanylpropyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-2-[methyl(3-phenylsulfanylpropyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-2-[methyl-[3-(phenylthio)propyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[methyl(3-phenylsulfanylpropyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-2-[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:

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCCSC1=CC=CC=C1

Isomeric SMILES

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCCSC1=CC=CC=C1

InChI

InChI=1S/C13H23NO7P2S/c1-11(13(15,22(16,17)18)23(19,20)21)14(2)9-6-10-24-12-7-4-3-5-8-12/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H2,16,17,18)(H2,19,20,21)