dimethyl 4-bromanyl-3-prop-2-enyl-cyclohexa-1,5-diene-1,3-dicarboxylate

Systemtic Name: dimethyl 4-bromanyl-3-prop-2-enyl-cyclohexa-1,5-diene-1,3-dicarboxylate Openeye Name: dimethyl 3-allyl-4-bromo-cyclohexa-1,5-diene-1,3-dicarboxylate CAS Name: 4-bromo-3-prop-2-enylcyclohexa-1,5-diene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-bromo-3-prop-2-enylcyclohexa-1,5-diene-1,3-dicarboxylate Traditional Name: 3-allyl-4-bromo-cyclohexa-1,5-diene-1,3-dicarboxylic acid dimethyl ester Formula: C13H15BrO4 MolecularWeight: 315.1598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C(C=C1)Br)(CC=C)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(C(C=C1)Br)(CC=C)C(=O)OC

InChI

InChI=1S/C13H15BrO4/c1-4-7-13(12(16)18-3)8-9(11(15)17-2)5-6-10(13)14/h4-6,8,10H,1,7H2,2-3H3