1-(9-chloranylphenanthren-3-yl)-2-(dioctylamino)ethanol hydrochloride

Systemtic Name: 1-(9-chloranylphenanthren-3-yl)-2-(dioctylamino)ethanol hydrochloride Openeye Name: 1-(9-chloro-3-phenanthryl)-2-(dioctylamino)ethanol hydrochloride CAS Name: 1-(9-chloro-3-phenanthrenyl)-2-(dioctylamino)ethanol hydrochloride IUPAC Name: 1-(9-chlorophenanthren-3-yl)-2-(dioctylamino)ethanol hydrochloride Traditional Name: 1-(9-chloro-3-phenanthryl)-2-(dioctylamino)ethanol hydrochloride Formula: C32H47Cl2NO MolecularWeight: 532.62768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)CC(C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl)O.Cl

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)CC(C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl)O.Cl

InChI

InChI=1S/C32H46ClNO.ClH/c1-3-5-7-9-11-15-21-34(22-16-12-10-8-6-4-2)25-32(35)27-20-19-26-24-31(33)29-18-14-13-17-28(29)30(26)23-27;/h13-14,17-20,23-24,32,35H,3-12,15-16,21-22,25H2,1-2H3;1H