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

Systemtic Name: [3-(hydroxymethyl)-3-(methylamino)-5-(4-octylphenyl)pentyl]phosphonic acid Openeye Name: [3-(hydroxymethyl)-3-(methylamino)-5-(4-octylphenyl)pentyl]phosphonic acid CAS Name: [3-(hydroxymethyl)-3-(methylamino)-5-(4-octylphenyl)pentyl]phosphonic acid IUPAC Name: [3-(hydroxymethyl)-3-(methylamino)-5-(4-octylphenyl)pentyl]phosphonic acid Traditional Name: [3-(methylamino)-3-methylol-5-(4-octylphenyl)pentyl]phosphonic acid Formula: C21H38NO4P MolecularWeight: 399.504481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38NO4P/c1-3-4-5-6-7-8-9-19-10-12-20(13-11-19)14-15-21(18-23,22-2)16-17-27(24,25)26/h10-13,22-23H,3-9,14-18H2,1-2H3,(H2,24,25,26)