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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-bromanyl-4-octoxy-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-octoxy-benzoate CAS Name: 3-bromo-4-octoxybenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-octoxybenzoate Traditional Name: 3-bromo-4-octoxy-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C35H45BrO4 MolecularWeight: 609.6334

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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)OCCCCCCCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C35H45BrO4/c1-3-5-7-9-11-13-25-38-31-20-15-28(16-21-31)29-17-22-32(23-18-29)40-35(37)30-19-24-34(33(36)27-30)39-26-14-12-10-8-6-4-2/h15-24,27H,3-14,25-26H2,1-2H3