methyl (E)-4-oxidanylidene-4-(1,2,2-trimethylcyclopentyl)but-2-enoate

Systemtic Name: methyl (E)-4-oxidanylidene-4-(1,2,2-trimethylcyclopentyl)but-2-enoate Openeye Name: methyl (E)-4-oxo-4-(1,2,2-trimethylcyclopentyl)but-2-enoate CAS Name: (E)-4-oxo-4-(1,2,2-trimethylcyclopentyl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-oxo-4-(1,2,2-trimethylcyclopentyl)but-2-enoate Traditional Name: (E)-4-keto-4-(1,2,2-trimethylcyclopentyl)but-2-enoic acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC1(C)C(=O)C=CC(=O)OC)C

Isomeric SMILES

CC1(CCCC1(C)C(=O)/C=C/C(=O)OC)C

InChI

InChI=1S/C13H20O3/c1-12(2)8-5-9-13(12,3)10(14)6-7-11(15)16-4/h6-7H,5,8-9H2,1-4H3/b7-6+