1-(9-bromanylphenanthren-3-yl)-2-[di(nonyl)amino]propan-1-one hydrochloride

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-[di(nonyl)amino]propan-1-one hydrochloride Openeye Name: 1-(9-bromo-3-phenanthryl)-2-[di(nonyl)amino]propan-1-one hydrochloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-[di(nonyl)amino]-1-propanone hydrochloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-[di(nonyl)amino]propan-1-one hydrochloride Traditional Name: 1-(9-bromo-3-phenanthryl)-2-[di(nonyl)amino]propan-1-one hydrochloride Formula: C35H51BrClNO MolecularWeight: 617.14254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN(CCCCCCCCC)C(C)C(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.Cl

Isomeric SMILES

CCCCCCCCCN(CCCCCCCCC)C(C)C(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.Cl

InChI

InChI=1S/C35H50BrNO.ClH/c1-4-6-8-10-12-14-18-24-37(25-19-15-13-11-9-7-5-2)28(3)35(38)30-23-22-29-27-34(36)32-21-17-16-20-31(32)33(29)26-30;/h16-17,20-23,26-28H,4-15,18-19,24-25H2,1-3H3;1H