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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-bromanyl-4-pentoxy-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-pentoxy-benzoate CAS Name: 3-bromo-4-pentoxybenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-pentoxybenzoate Traditional Name: 4-amoxy-3-bromo-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C32H39BrO4 MolecularWeight: 567.55366

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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)OCCCCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C32H39BrO4/c1-3-5-7-8-9-11-22-35-28-17-12-25(13-18-28)26-14-19-29(20-15-26)37-32(34)27-16-21-31(30(33)24-27)36-23-10-6-4-2/h12-21,24H,3-11,22-23H2,1-2H3