[4-[4-(2-methylbutoxy)phenyl]phenyl] 3-bromanyl-4-octyl-benzoate

Systemtic Name: [4-[4-(2-methylbutoxy)phenyl]phenyl] 3-bromanyl-4-octyl-benzoate Openeye Name: [4-[4-(2-methylbutoxy)phenyl]phenyl] 3-bromo-4-octyl-benzoate CAS Name: 3-bromo-4-octylbenzoic acid [4-[4-(2-methylbutoxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(2-methylbutoxy)phenyl]phenyl] 3-bromo-4-octylbenzoate Traditional Name: 3-bromo-4-octyl-benzoic acid [4-[4-(2-methylbutoxy)phenyl]phenyl] ester Formula: C32H39BrO3 MolecularWeight: 551.55426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)CC)Br

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)CC)Br

InChI

InChI=1S/C32H39BrO3/c1-4-6-7-8-9-10-11-27-12-13-28(22-31(27)33)32(34)36-30-20-16-26(17-21-30)25-14-18-29(19-15-25)35-23-24(3)5-2/h12-22,24H,4-11,23H2,1-3H3