methyl (1R,6S)-1-methyl-2-oxidanylidene-6-(3-oxidanylidenepropyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,6S)-1-methyl-2-oxidanylidene-6-(3-oxidanylidenepropyl)cyclohexane-1-carboxylate Openeye Name: methyl (1R,6S)-1-methyl-2-oxo-6-(3-oxopropyl)cyclohexanecarboxylate CAS Name: (1R,6S)-1-methyl-2-oxo-6-(3-oxopropyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,6S)-1-methyl-2-oxo-6-(3-oxopropyl)cyclohexane-1-carboxylate Traditional Name: (1R,6S)-2-keto-6-(3-ketopropyl)-1-methyl-cyclohexanecarboxylic acid methyl ester Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@]1([C@@H](CCCC1=O)CCC=O)C(=O)OC

InChI

InChI=1S/C12H18O4/c1-12(11(15)16-2)9(6-4-8-13)5-3-7-10(12)14/h8-9H,3-7H2,1-2H3/t9-,12+/m0/s1