3-azanyl-3-[2-(4-octylphenyl)ethyl]hexane-1,6-diol

Systemtic Name: 3-azanyl-3-[2-(4-octylphenyl)ethyl]hexane-1,6-diol Openeye Name: 3-amino-3-[2-(4-octylphenyl)ethyl]hexane-1,6-diol CAS Name: 3-amino-3-[2-(4-octylphenyl)ethyl]hexane-1,6-diol IUPAC Name: 3-amino-3-[2-(4-octylphenyl)ethyl]hexane-1,6-diol Traditional Name: 3-amino-3-[2-(4-octylphenyl)ethyl]hexane-1,6-diol Formula: C22H39NO2 MolecularWeight: 349.55056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CCCO)(CCO)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CCCO)(CCO)N

InChI

InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-9-20-10-12-21(13-11-20)14-16-22(23,17-19-25)15-8-18-24/h10-13,24-25H,2-9,14-19,23H2,1H3