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

Systemtic Name: [4-(4-hexoxyphenyl)phenyl] 3-bromanyl-4-hexyl-benzoate Openeye Name: [4-(4-hexoxyphenyl)phenyl] 3-bromo-4-hexyl-benzoate CAS Name: 3-bromo-4-hexylbenzoic acid [4-(4-hexoxyphenyl)phenyl] ester IUPAC Name: [4-(4-hexoxyphenyl)phenyl] 3-bromo-4-hexylbenzoate Traditional Name: 3-bromo-4-hexyl-benzoic acid [4-(4-hexoxyphenyl)phenyl] ester Formula: C31H37BrO3 MolecularWeight: 537.52768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC)Br

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC)Br

InChI

InChI=1S/C31H37BrO3/c1-3-5-7-9-11-26-12-13-27(23-30(26)32)31(33)35-29-20-16-25(17-21-29)24-14-18-28(19-15-24)34-22-10-8-6-4-2/h12-21,23H,3-11,22H2,1-2H3