1-[3,6-bis(trifluoromethyl)phenanthren-9-yl]-2-(dibutylamino)ethanol hydrochloride

Systemtic Name: 1-[3,6-bis(trifluoromethyl)phenanthren-9-yl]-2-(dibutylamino)ethanol hydrochloride Openeye Name: 1-[3,6-bis(trifluoromethyl)-9-phenanthryl]-2-(dibutylamino)ethanol hydrochloride CAS Name: 1-[3,6-bis(trifluoromethyl)-9-phenanthrenyl]-2-(dibutylamino)ethanol hydrochloride IUPAC Name: 1-[3,6-bis(trifluoromethyl)phenanthren-9-yl]-2-(dibutylamino)ethanol hydrochloride Traditional Name: 1-[3,6-bis(trifluoromethyl)-9-phenanthryl]-2-(dibutylamino)ethanol hydrochloride Formula: C26H30ClF6NO MolecularWeight: 521.965919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC(C1=C2C=CC(=CC2=C3C=C(C=CC3=C1)C(F)(F)F)C(F)(F)F)O.Cl

Isomeric SMILES

CCCCN(CCCC)CC(C1=C2C=CC(=CC2=C3C=C(C=CC3=C1)C(F)(F)F)C(F)(F)F)O.Cl

InChI

InChI=1S/C26H29F6NO.ClH/c1-3-5-11-33(12-6-4-2)16-24(34)23-13-17-7-8-18(25(27,28)29)14-21(17)22-15-19(26(30,31)32)9-10-20(22)23;/h7-10,13-15,24,34H,3-6,11-12,16H2,1-2H3;1H