dibutyl 2-[[4-(bromomethyl)-3-methyl-phenyl]methylidene]propanedioate

Systemtic Name: dibutyl 2-[[4-(bromomethyl)-3-methyl-phenyl]methylidene]propanedioate Openeye Name: dibutyl 2-[[4-(bromomethyl)-3-methyl-phenyl]methylene]propanedioate CAS Name: 2-[[4-(bromomethyl)-3-methylphenyl]methylidene]propanedioic acid dibutyl ester IUPAC Name: dibutyl 2-[[4-(bromomethyl)-3-methylphenyl]methylidene]propanedioate Traditional Name: 2-[4-(bromomethyl)-3-methyl-benzylidene]malonic acid dibutyl ester Formula: C20H27BrO4 MolecularWeight: 411.32998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=CC(=C(C=C1)CBr)C)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C(=CC1=CC(=C(C=C1)CBr)C)C(=O)OCCCC

InChI

InChI=1S/C20H27BrO4/c1-4-6-10-24-19(22)18(20(23)25-11-7-5-2)13-16-8-9-17(14-21)15(3)12-16/h8-9,12-13H,4-7,10-11,14H2,1-3H3