methyl (E)-4-(1-methyl-2-oxidanylidene-cyclohexyl)but-2-enoate

Systemtic Name: methyl (E)-4-(1-methyl-2-oxidanylidene-cyclohexyl)but-2-enoate Openeye Name: methyl (E)-4-(1-methyl-2-oxo-cyclohexyl)but-2-enoate CAS Name: (E)-4-(1-methyl-2-oxocyclohexyl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(1-methyl-2-oxocyclohexyl)but-2-enoate Traditional Name: (E)-4-(2-keto-1-methyl-cyclohexyl)but-2-enoic acid methyl ester Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1=O)CC=CC(=O)OC

Isomeric SMILES

CC1(CCCCC1=O)C/C=C/C(=O)OC

InChI

InChI=1S/C12H18O3/c1-12(8-4-3-6-10(12)13)9-5-7-11(14)15-2/h5,7H,3-4,6,8-9H2,1-2H3/b7-5+