[4-[(E)-2-bromanylethenyl]-2-methoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-2-bromanylethenyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-2-bromovinyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-bromoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-bromoethenyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-bromovinyl]-2-methoxy-phenyl] ester Formula: C16H13BrO3 MolecularWeight: 333.17662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CBr)OC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/Br)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H13BrO3/c1-19-15-11-12(9-10-17)7-8-14(15)20-16(18)13-5-3-2-4-6-13/h2-11H,1H3/b10-9+