N-methyl-7-phenyl-heptan-1-amine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid

Systemtic Name: N-methyl-7-phenyl-heptan-1-amine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid Openeye Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; N-methyl-7-phenyl-heptan-1-amine CAS Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; N-methyl-7-phenyl-1-heptanamine IUPAC Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; N-methyl-7-phenylheptan-1-amine Traditional Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; methyl(7-phenylheptyl)amine Formula: C17H33NO7P2 MolecularWeight: 425.393942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(O)(P(=O)(O)O)P(=O)(O)O.CNCCCCCCCC1=CC=CC=C1

Isomeric SMILES

CCC(O)(P(=O)(O)O)P(=O)(O)O.CNCCCCCCCC1=CC=CC=C1

InChI

InChI=1S/C14H23N.C3H10O7P2/c1-15-13-9-4-2-3-6-10-14-11-7-5-8-12-14;1-2-3(4,11(5,6)7)12(8,9)10/h5,7-8,11-12,15H,2-4,6,9-10,13H2,1H3;4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10)