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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-bromanyl-4-octyl-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-octyl-benzoate CAS Name: 3-bromo-4-octylbenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-octylbenzoate Traditional Name: 3-bromo-4-octyl-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C35H45BrO3 MolecularWeight: 593.634

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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)OCCCCCCCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C35H45BrO3/c1-3-5-7-9-11-13-15-30-16-17-31(27-34(30)36)35(37)39-33-24-20-29(21-25-33)28-18-22-32(23-19-28)38-26-14-12-10-8-6-4-2/h16-25,27H,3-15,26H2,1-2H3