N-methyl-4-phenyl-butan-1-amine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid

Systemtic Name: N-methyl-4-phenyl-butan-1-amine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid Openeye Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; N-methyl-4-phenyl-butan-1-amine CAS Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; N-methyl-4-phenyl-1-butanamine IUPAC Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; N-methyl-4-phenylbutan-1-amine Traditional Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; methyl(4-phenylbutyl)amine Formula: C14H27NO7P2 MolecularWeight: 383.314202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(O)(P(=O)(O)O)P(=O)(O)O.CNCCCCC1=CC=CC=C1

Isomeric SMILES

CCC(O)(P(=O)(O)O)P(=O)(O)O.CNCCCCC1=CC=CC=C1

InChI

InChI=1S/C11H17N.C3H10O7P2/c1-12-10-6-5-9-11-7-3-2-4-8-11;1-2-3(4,11(5,6)7)12(8,9)10/h2-4,7-8,12H,5-6,9-10H2,1H3;4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10)