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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-10-21-14-13-20(18-22(21)23)12-11-19(15-17-25)9-8-16-24/h13-14,18-19,24-25H,2-12,15-17,23H2,1H3