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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-bromanyl-4-heptyl-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-heptyl-benzoate CAS Name: 3-bromo-4-heptylbenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-heptylbenzoate Traditional Name: 3-bromo-4-heptyl-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C34H43BrO3 MolecularWeight: 579.60742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCC)Br

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCC)Br

InChI

InChI=1S/C34H43BrO3/c1-3-5-7-9-11-13-25-37-31-21-17-27(18-22-31)28-19-23-32(24-20-28)38-34(36)30-16-15-29(33(35)26-30)14-12-10-8-6-4-2/h15-24,26H,3-14,25H2,1-2H3