[2-(dimethylamino)-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate

Systemtic Name: [2-(dimethylamino)-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate Openeye Name: [2-(dimethylamino)-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate CAS Name: [2-(dimethylamino)-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate IUPAC Name: [2-(dimethylamino)-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate Traditional Name: [2-(dimethylamino)-2-methylol-4-(4-octylphenyl)butyl] dihydrogen phosphate Formula: C21H38NO5P MolecularWeight: 415.503881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38NO5P/c1-4-5-6-7-8-9-10-19-11-13-20(14-12-19)15-16-21(17-23,22(2)3)18-27-28(24,25)26/h11-14,23H,4-10,15-18H2,1-3H3,(H2,24,25,26)