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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-bromanyl-4-hexyl-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-hexyl-benzoate CAS Name: 3-bromo-4-hexylbenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-hexylbenzoate Traditional Name: 3-bromo-4-hexyl-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C33H41BrO3 MolecularWeight: 565.58084

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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)CCCCCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C33H41BrO3/c1-3-5-7-9-10-12-24-36-30-20-16-26(17-21-30)27-18-22-31(23-19-27)37-33(35)29-15-14-28(32(34)25-29)13-11-8-6-4-2/h14-23,25H,3-13,24H2,1-2H3