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

Systemtic Name: [3-(3-phenylpropoxycarbonyl)phenyl] 3-bromanyl-4-butoxy-benzoate Openeye Name: [3-(3-phenylpropoxycarbonyl)phenyl] 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid [3-[oxo(3-phenylpropoxy)methyl]phenyl] ester IUPAC Name: [3-(3-phenylpropoxycarbonyl)phenyl] 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid [3-(3-phenylpropoxycarbonyl)phenyl] ester Formula: C27H27BrO5 MolecularWeight: 511.40428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H27BrO5/c1-2-3-16-31-25-15-14-22(19-24(25)28)27(30)33-23-13-7-12-21(18-23)26(29)32-17-8-11-20-9-5-4-6-10-20/h4-7,9-10,12-15,18-19H,2-3,8,11,16-17H2,1H3