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3-bromanyl-4-(4-cyanoheptyl)-2,5-diphenyl-benzoic acid

3-bromanyl-4-(4-cyanoheptyl)-2,5-diphenyl-benzoic acid

Systemtic Name:3-bromanyl-4-(4-cyanoheptyl)-2,5-diphenyl-benzoic acid
Openeye Name:3-bromo-4-(4-cyanoheptyl)-2,5-diphenyl-benzoic acid
CAS Name:3-bromo-4-(4-cyanoheptyl)-2,5-diphenylbenzoic acid
IUPAC Name:3-bromo-4-(4-cyanoheptyl)-2,5-diphenylbenzoic acid
Traditional Name:3-bromo-4-(4-cyanoheptyl)-2,5-diphenyl-benzoic acid
Formula: C27H26BrNO2
MolecularWeight: 476.40484
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC1=C(C(=C(C=C1C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3)Br)C#N


Isomeric SMILES

CCCC(CCCC1=C(C(=C(C=C1C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3)Br)C#N


InChI

InChI=1S/C27H26BrNO2/c1-2-10-19(18-29)11-9-16-22-23(20-12-5-3-6-13-20)17-24(27(30)31)25(26(22)28)21-14-7-4-8-15-21/h3-8,12-15,17,19H,2,9-11,16H2,1H3,(H,30,31)


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