[2-azanyl-4-(4-octylphenyl)-1-oxidanyl-pentan-2-yl]oxymethylphosphonic acid

Systemtic Name: [2-azanyl-4-(4-octylphenyl)-1-oxidanyl-pentan-2-yl]oxymethylphosphonic acid Openeye Name: [1-amino-1-(hydroxymethyl)-3-(4-octylphenyl)butoxy]methylphosphonic acid CAS Name: [2-amino-1-hydroxy-4-(4-octylphenyl)pentan-2-yl]oxymethylphosphonic acid IUPAC Name: [2-amino-1-hydroxy-4-(4-octylphenyl)pentan-2-yl]oxymethylphosphonic acid Traditional Name: [1-amino-1-methylol-3-(4-octylphenyl)butoxy]methylphosphonic acid Formula: C20H36NO5P MolecularWeight: 401.477301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(C)CC(CO)(N)OCP(=O)(O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(C)CC(CO)(N)OCP(=O)(O)O

InChI

InChI=1S/C20H36NO5P/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)17(2)14-20(21,15-22)26-16-27(23,24)25/h10-13,17,22H,3-9,14-16,21H2,1-2H3,(H2,23,24,25)