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

Systemtic Name: [4-azanyl-4-(hydroxymethyl)-6-(4-octylphenyl)hexyl]phosphonic acid Openeye Name: [4-amino-4-(hydroxymethyl)-6-(4-octylphenyl)hexyl]phosphonic acid CAS Name: [4-amino-4-(hydroxymethyl)-6-(4-octylphenyl)hexyl]phosphonic acid IUPAC Name: [4-amino-4-(hydroxymethyl)-6-(4-octylphenyl)hexyl]phosphonic acid Traditional Name: [4-amino-4-methylol-6-(4-octylphenyl)hexyl]phosphonic acid Formula: C21H38NO4P MolecularWeight: 399.504481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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