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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-bromanyl-4-pentyl-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-pentyl-benzoate CAS Name: 3-bromo-4-pentylbenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-pentylbenzoate Traditional Name: 4-amyl-3-bromo-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C32H39BrO3 MolecularWeight: 551.55426

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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)CCCCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C32H39BrO3/c1-3-5-7-8-9-11-23-35-29-19-15-25(16-20-29)26-17-21-30(22-18-26)36-32(34)28-14-13-27(31(33)24-28)12-10-6-4-2/h13-22,24H,3-12,23H2,1-2H3