N-methyl-6-phenyl-hexan-1-amine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid

Systemtic Name: N-methyl-6-phenyl-hexan-1-amine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid Openeye Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; N-methyl-6-phenyl-hexan-1-amine CAS Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; N-methyl-6-phenyl-1-hexanamine IUPAC Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; N-methyl-6-phenylhexan-1-amine Traditional Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; methyl(6-phenylhexyl)amine Formula: C16H31NO7P2 MolecularWeight: 411.367362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(O)(P(=O)(O)O)P(=O)(O)O.CNCCCCCCC1=CC=CC=C1

Isomeric SMILES

CCC(O)(P(=O)(O)O)P(=O)(O)O.CNCCCCCCC1=CC=CC=C1

InChI

InChI=1S/C13H21N.C3H10O7P2/c1-14-12-8-3-2-5-9-13-10-6-4-7-11-13;1-2-3(4,11(5,6)7)12(8,9)10/h4,6-7,10-11,14H,2-3,5,8-9,12H2,1H3;4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10)