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

Systemtic Name: [4-(hydroxymethyl)-4-(methylamino)-6-(4-octylphenyl)hexyl]phosphonic acid Openeye Name: [4-(hydroxymethyl)-4-(methylamino)-6-(4-octylphenyl)hexyl]phosphonic acid CAS Name: [4-(hydroxymethyl)-4-(methylamino)-6-(4-octylphenyl)hexyl]phosphonic acid IUPAC Name: [4-(hydroxymethyl)-4-(methylamino)-6-(4-octylphenyl)hexyl]phosphonic acid Traditional Name: [4-(methylamino)-4-methylol-6-(4-octylphenyl)hexyl]phosphonic acid Formula: C22H40NO4P MolecularWeight: 413.531061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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