[3-(dimethylamino)-3-(hydroxymethyl)-5-(4-octylphenyl)pentyl]phosphonic acid

Systemtic Name: [3-(dimethylamino)-3-(hydroxymethyl)-5-(4-octylphenyl)pentyl]phosphonic acid Openeye Name: [3-(dimethylamino)-3-(hydroxymethyl)-5-(4-octylphenyl)pentyl]phosphonic acid CAS Name: [3-(dimethylamino)-3-(hydroxymethyl)-5-(4-octylphenyl)pentyl]phosphonic acid IUPAC Name: [3-(dimethylamino)-3-(hydroxymethyl)-5-(4-octylphenyl)pentyl]phosphonic acid Traditional Name: [3-(dimethylamino)-3-methylol-5-(4-octylphenyl)pentyl]phosphonic acid Formula: C22H40NO4P MolecularWeight: 413.531061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CCP(=O)(O)O)(CO)N(C)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CCP(=O)(O)O)(CO)N(C)C

InChI

InChI=1S/C22H40NO4P/c1-4-5-6-7-8-9-10-20-11-13-21(14-12-20)15-16-22(19-24,23(2)3)17-18-28(25,26)27/h11-14,24H,4-10,15-19H2,1-3H3,(H2,25,26,27)