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

Systemtic Name: [3-[methyl(2-phenylsulfanylethyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[methyl(2-phenylsulfanylethyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[methyl-[2-(phenylthio)ethyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[methyl(2-phenylsulfanylethyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[methyl-[2-(phenylthio)ethyl]amino]-1-phosphono-propyl]phosphonic acid Formula: C12H21NO7P2S MolecularWeight: 385.310162

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCSC1=CC=CC=C1

Isomeric SMILES

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCSC1=CC=CC=C1

InChI

InChI=1S/C12H21NO7P2S/c1-13(9-10-23-11-5-3-2-4-6-11)8-7-12(14,21(15,16)17)22(18,19)20/h2-6,14H,7-10H2,1H3,(H2,15,16,17)(H2,18,19,20)