1-(9-chloranylphenanthren-3-yl)-2-(didecylamino)ethanone hydrochloride

Systemtic Name: 1-(9-chloranylphenanthren-3-yl)-2-(didecylamino)ethanone hydrochloride Openeye Name: 1-(9-chloro-3-phenanthryl)-2-(didecylamino)ethanone hydrochloride CAS Name: 1-(9-chloro-3-phenanthrenyl)-2-(didecylamino)ethanone hydrochloride IUPAC Name: 1-(9-chlorophenanthren-3-yl)-2-(didecylamino)ethanone hydrochloride Traditional Name: 1-(9-chloro-3-phenanthryl)-2-(didecylamino)ethanone hydrochloride Formula: C36H53Cl2NO MolecularWeight: 586.71812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN(CCCCCCCCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl.Cl

Isomeric SMILES

CCCCCCCCCCN(CCCCCCCCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl.Cl

InChI

InChI=1S/C36H52ClNO.ClH/c1-3-5-7-9-11-13-15-19-25-38(26-20-16-14-12-10-8-6-4-2)29-36(39)31-24-23-30-28-35(37)33-22-18-17-21-32(33)34(30)27-31;/h17-18,21-24,27-28H,3-16,19-20,25-26,29H2,1-2H3;1H