ethene; methyl 1-[(3-chlorophenyl)methyl]-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethene; methyl 1-[(3-chlorophenyl)methyl]-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethylene; methyl 1-[(3-chlorophenyl)methyl]-4-oxo-cyclohexanecarboxylate CAS Name: 1-[(3-chlorophenyl)methyl]-4-oxo-1-cyclohexanecarboxylic acid methyl ester; ethene IUPAC Name: ethene; methyl 1-[(3-chlorophenyl)methyl]-4-oxocyclohexane-1-carboxylate Traditional Name: 1-(3-chlorobenzyl)-4-keto-cyclohexanecarboxylic acid methyl ester; ethylene Formula: C17H21ClO3 MolecularWeight: 308.79984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC(=O)CC1)CC2=CC(=CC=C2)Cl.C=C

Isomeric SMILES

COC(=O)C1(CCC(=O)CC1)CC2=CC(=CC=C2)Cl.C=C

InChI

InChI=1S/C15H17ClO3.C2H4/c1-19-14(18)15(7-5-13(17)6-8-15)10-11-3-2-4-12(16)9-11;1-2/h2-4,9H,5-8,10H2,1H3;1-2H2