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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-bromanyl-4-nonyl-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-nonyl-benzoate CAS Name: 3-bromo-4-nonylbenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-nonylbenzoate Traditional Name: 3-bromo-4-nonyl-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C36H47BrO3 MolecularWeight: 607.66058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC)Br

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC)Br

InChI

InChI=1S/C36H47BrO3/c1-3-5-7-9-11-12-14-16-31-17-18-32(28-35(31)37)36(38)40-34-25-21-30(22-26-34)29-19-23-33(24-20-29)39-27-15-13-10-8-6-4-2/h17-26,28H,3-16,27H2,1-2H3