[2-(hydroxymethyl)-2-(methylamino)-4-(4-octylphenyl)butyl] dihydrogen phosphate

Systemtic Name: [2-(hydroxymethyl)-2-(methylamino)-4-(4-octylphenyl)butyl] dihydrogen phosphate Openeye Name: [2-(hydroxymethyl)-2-(methylamino)-4-(4-octylphenyl)butyl] dihydrogen phosphate CAS Name: [2-(hydroxymethyl)-2-(methylamino)-4-(4-octylphenyl)butyl] dihydrogen phosphate IUPAC Name: [2-(hydroxymethyl)-2-(methylamino)-4-(4-octylphenyl)butyl] dihydrogen phosphate Traditional Name: [2-(methylamino)-2-methylol-4-(4-octylphenyl)butyl] dihydrogen phosphate Formula: C20H36NO5P MolecularWeight: 401.477301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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