methyl (1R,3S)-1-chloranyl-5-methylidene-2-oxidanylidene-3-prop-2-enyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,3S)-1-chloranyl-5-methylidene-2-oxidanylidene-3-prop-2-enyl-cyclohexane-1-carboxylate Openeye Name: methyl (1R,3S)-3-allyl-1-chloro-5-methylene-2-oxo-cyclohexanecarboxylate CAS Name: (1R,3S)-1-chloro-5-methylene-2-oxo-3-prop-2-enyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-1-chloro-5-methylidene-2-oxo-3-prop-2-enylcyclohexane-1-carboxylate Traditional Name: (1R,3S)-3-allyl-1-chloro-2-keto-5-methylene-cyclohexanecarboxylic acid methyl ester Formula: C12H15ClO3 MolecularWeight: 242.6987

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=C)CC(C1=O)CC=C)Cl

Isomeric SMILES

COC(=O)[C@]1(CC(=C)C[C@@H](C1=O)CC=C)Cl

InChI

InChI=1S/C12H15ClO3/c1-4-5-9-6-8(2)7-12(13,10(9)14)11(15)16-3/h4,9H,1-2,5-7H2,3H3/t9-,12+/m0/s1