[4-(dimethylamino)-4-(hydroxymethyl)-6-(4-octylphenyl)hexyl]phosphonic acid

Systemtic Name: [4-(dimethylamino)-4-(hydroxymethyl)-6-(4-octylphenyl)hexyl]phosphonic acid Openeye Name: [4-(dimethylamino)-4-(hydroxymethyl)-6-(4-octylphenyl)hexyl]phosphonic acid CAS Name: [4-(dimethylamino)-4-(hydroxymethyl)-6-(4-octylphenyl)hexyl]phosphonic acid IUPAC Name: [4-(dimethylamino)-4-(hydroxymethyl)-6-(4-octylphenyl)hexyl]phosphonic acid Traditional Name: [4-(dimethylamino)-4-methylol-6-(4-octylphenyl)hexyl]phosphonic acid Formula: C23H42NO4P MolecularWeight: 427.557641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42NO4P/c1-4-5-6-7-8-9-11-21-12-14-22(15-13-21)16-18-23(20-25,24(2)3)17-10-19-29(26,27)28/h12-15,25H,4-11,16-20H2,1-3H3,(H2,26,27,28)