[2-azanyl-2-(hydroxymethyl)-6-[4-(4-octylphenyl)phenyl]hexyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-2-(hydroxymethyl)-6-[4-(4-octylphenyl)phenyl]hexyl] dihydrogen phosphate Openeye Name: [2-amino-2-(hydroxymethyl)-6-[4-(4-octylphenyl)phenyl]hexyl] dihydrogen phosphate CAS Name: [2-amino-2-(hydroxymethyl)-6-[4-(4-octylphenyl)phenyl]hexyl] dihydrogen phosphate IUPAC Name: [2-amino-2-(hydroxymethyl)-6-[4-(4-octylphenyl)phenyl]hexyl] dihydrogen phosphate Traditional Name: [2-amino-2-methylol-6-[4-(4-octylphenyl)phenyl]hexyl] dihydrogen phosphate Formula: C27H42NO5P MolecularWeight: 491.599841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC(CO)(COP(=O)(O)O)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC(CO)(COP(=O)(O)O)N

InChI

InChI=1S/C27H42NO5P/c1-2-3-4-5-6-7-10-23-12-16-25(17-13-23)26-18-14-24(15-19-26)11-8-9-20-27(28,21-29)22-33-34(30,31)32/h12-19,29H,2-11,20-22,28H2,1H3,(H2,30,31,32)