1-[2,7-bis(bromanyl)-10-methoxy-phenanthren-9-yl]-2-(diheptylamino)ethanol hydrochloride

Systemtic Name: 1-[2,7-bis(bromanyl)-10-methoxy-phenanthren-9-yl]-2-(diheptylamino)ethanol hydrochloride Openeye Name: 1-(2,7-dibromo-10-methoxy-9-phenanthryl)-2-(diheptylamino)ethanol hydrochloride CAS Name: 1-(2,7-dibromo-10-methoxy-9-phenanthrenyl)-2-(diheptylamino)ethanol hydrochloride IUPAC Name: 1-(2,7-dibromo-10-methoxyphenanthren-9-yl)-2-(diheptylamino)ethanol hydrochloride Traditional Name: 1-(2,7-dibromo-10-methoxy-9-phenanthryl)-2-(diheptylamino)ethanol hydrochloride Formula: C31H44Br2ClNO2 MolecularWeight: 657.94756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCCC)CC(C1=C2C=C(C=CC2=C3C=CC(=CC3=C1OC)Br)Br)O.Cl

Isomeric SMILES

CCCCCCCN(CCCCCCC)CC(C1=C2C=C(C=CC2=C3C=CC(=CC3=C1OC)Br)Br)O.Cl

InChI

InChI=1S/C31H43Br2NO2.ClH/c1-4-6-8-10-12-18-34(19-13-11-9-7-5-2)22-29(35)30-27-20-23(32)14-16-25(27)26-17-15-24(33)21-28(26)31(30)36-3;/h14-17,20-21,29,35H,4-13,18-19,22H2,1-3H3;1H