[4-(4-hexoxyphenyl)phenyl] 3-bromanyl-4-heptyl-benzoate

Systemtic Name: [4-(4-hexoxyphenyl)phenyl] 3-bromanyl-4-heptyl-benzoate Openeye Name: [4-(4-hexoxyphenyl)phenyl] 3-bromo-4-heptyl-benzoate CAS Name: 3-bromo-4-heptylbenzoic acid [4-(4-hexoxyphenyl)phenyl] ester IUPAC Name: [4-(4-hexoxyphenyl)phenyl] 3-bromo-4-heptylbenzoate Traditional Name: 3-bromo-4-heptyl-benzoic acid [4-(4-hexoxyphenyl)phenyl] ester Formula: C32H39BrO3 MolecularWeight: 551.55426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC)Br

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC)Br

InChI

InChI=1S/C32H39BrO3/c1-3-5-7-9-10-12-27-13-14-28(24-31(27)33)32(34)36-30-21-17-26(18-22-30)25-15-19-29(20-16-25)35-23-11-8-6-4-2/h13-22,24H,3-12,23H2,1-2H3