methyl 11-bromanyl-11-[4-(4-methylphenyl)carbonylphenyl]undecanoate

Systemtic Name: methyl 11-bromanyl-11-[4-(4-methylphenyl)carbonylphenyl]undecanoate Openeye Name: methyl 11-bromo-11-[4-(4-methylbenzoyl)phenyl]undecanoate CAS Name: 11-bromo-11-[4-[(4-methylphenyl)-oxomethyl]phenyl]undecanoic acid methyl ester IUPAC Name: methyl 11-bromo-11-[4-(4-methylbenzoyl)phenyl]undecanoate Traditional Name: 11-bromo-11-(4-p-toluoylphenyl)undecanoic acid methyl ester Formula: C26H33BrO3 MolecularWeight: 473.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(CCCCCCCCCC(=O)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(CCCCCCCCCC(=O)OC)Br

InChI

InChI=1S/C26H33BrO3/c1-20-12-14-22(15-13-20)26(29)23-18-16-21(17-19-23)24(27)10-8-6-4-3-5-7-9-11-25(28)30-2/h12-19,24H,3-11H2,1-2H3