[4-(3-phenylpropoxycarbonyl)phenyl] 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-bromanyl-4-hexoxy-benzoate Openeye Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [4-[oxo(3-phenylpropoxy)methyl]phenyl] ester IUPAC Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid [4-(3-phenylpropoxycarbonyl)phenyl] ester Formula: C29H31BrO5 MolecularWeight: 539.45744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C29H31BrO5/c1-2-3-4-8-19-33-27-18-15-24(21-26(27)30)29(32)35-25-16-13-23(14-17-25)28(31)34-20-9-12-22-10-6-5-7-11-22/h5-7,10-11,13-18,21H,2-4,8-9,12,19-20H2,1H3