dimethyl 2-[3-(4-bromophenyl)prop-2-ynyl]-2-(2-methylprop-2-enyl)propanedioate

Systemtic Name: dimethyl 2-[3-(4-bromophenyl)prop-2-ynyl]-2-(2-methylprop-2-enyl)propanedioate Openeye Name: dimethyl 2-[3-(4-bromophenyl)prop-2-ynyl]-2-(2-methylallyl)propanedioate CAS Name: 2-[3-(4-bromophenyl)prop-2-ynyl]-2-(2-methylprop-2-enyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-(4-bromophenyl)prop-2-ynyl]-2-(2-methylprop-2-enyl)propanedioate Traditional Name: 2-[3-(4-bromophenyl)prop-2-ynyl]-2-(2-methylallyl)malonic acid dimethyl ester Formula: C18H19BrO4 MolecularWeight: 379.24506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(CC#CC1=CC=C(C=C1)Br)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=C)CC(CC#CC1=CC=C(C=C1)Br)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H19BrO4/c1-13(2)12-18(16(20)22-3,17(21)23-4)11-5-6-14-7-9-15(19)10-8-14/h7-10H,1,11-12H2,2-4H3