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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-bromanyl-4-nonoxy-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-nonoxy-benzoate CAS Name: 3-bromo-4-nonoxybenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-bromo-4-nonoxybenzoate Traditional Name: 3-bromo-4-nonoxy-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C36H47BrO4 MolecularWeight: 623.65998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC)Br

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC)Br

InChI

InChI=1S/C36H47BrO4/c1-3-5-7-9-11-13-15-27-40-35-25-20-31(28-34(35)37)36(38)41-33-23-18-30(19-24-33)29-16-21-32(22-17-29)39-26-14-12-10-8-6-4-2/h16-25,28H,3-15,26-27H2,1-2H3