dimethyl 2-[(E)-7-(2-bromophenyl)hept-4-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-7-(2-bromophenyl)hept-4-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-7-(2-bromophenyl)hept-4-enyl]propanedioate CAS Name: 2-[(E)-7-(2-bromophenyl)hept-4-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-7-(2-bromophenyl)hept-4-enyl]propanedioate Traditional Name: 2-[(E)-7-(2-bromophenyl)hept-4-enyl]malonic acid dimethyl ester Formula: C18H23BrO4 MolecularWeight: 383.27682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC=CCCC1=CC=CC=C1Br)C(=O)OC

Isomeric SMILES

COC(=O)C(CCC/C=C/CCC1=CC=CC=C1Br)C(=O)OC

InChI

InChI=1S/C18H23BrO4/c1-22-17(20)15(18(21)23-2)12-7-5-3-4-6-10-14-11-8-9-13-16(14)19/h3-4,8-9,11,13,15H,5-7,10,12H2,1-2H3/b4-3+