N-methyl-2-phenylsulfanyl-ethanamine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid

Systemtic Name: N-methyl-2-phenylsulfanyl-ethanamine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid Openeye Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; N-methyl-2-phenylsulfanyl-ethanamine CAS Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; N-methyl-2-(phenylthio)ethanamine IUPAC Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; N-methyl-2-phenylsulfanylethanamine Traditional Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; methyl-[2-(phenylthio)ethyl]amine Formula: C12H23NO7P2S MolecularWeight: 387.326042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(O)(P(=O)(O)O)P(=O)(O)O.CNCCSC1=CC=CC=C1

Isomeric SMILES

CCC(O)(P(=O)(O)O)P(=O)(O)O.CNCCSC1=CC=CC=C1

InChI

InChI=1S/C9H13NS.C3H10O7P2/c1-10-7-8-11-9-5-3-2-4-6-9;1-2-3(4,11(5,6)7)12(8,9)10/h2-6,10H,7-8H2,1H3;4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10)