[3-(2-phenoxyethoxycarbonyl)phenyl] 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: [3-(2-phenoxyethoxycarbonyl)phenyl] 3-bromanyl-4-hexoxy-benzoate Openeye Name: [3-(2-phenoxyethoxycarbonyl)phenyl] 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [3-[oxo(2-phenoxyethoxy)methyl]phenyl] ester IUPAC Name: [3-(2-phenoxyethoxycarbonyl)phenyl] 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid [3-(2-phenoxyethoxycarbonyl)phenyl] ester Formula: C28H29BrO6 MolecularWeight: 541.43026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3)Br

InChI

InChI=1S/C28H29BrO6/c1-2-3-4-8-16-33-26-15-14-22(20-25(26)29)28(31)35-24-13-9-10-21(19-24)27(30)34-18-17-32-23-11-6-5-7-12-23/h5-7,9-15,19-20H,2-4,8,16-18H2,1H3