methyl (1R,2R,3S)-2-methanoyl-2-methyl-3-(3-oxidanylidenebutyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2R,3S)-2-methanoyl-2-methyl-3-(3-oxidanylidenebutyl)cyclohexane-1-carboxylate Openeye Name: methyl (1R,2R,3S)-2-formyl-2-methyl-3-(3-oxobutyl)cyclohexanecarboxylate CAS Name: (1R,2R,3S)-2-formyl-2-methyl-3-(3-oxobutyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R,3S)-2-formyl-2-methyl-3-(3-oxobutyl)cyclohexane-1-carboxylate Traditional Name: (1R,2R,3S)-2-formyl-3-(3-ketobutyl)-2-methyl-cyclohexanecarboxylic acid methyl ester Formula: C14H22O4 MolecularWeight: 254.32208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1CCCC(C1(C)C=O)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H22O4/c1-10(16)7-8-11-5-4-6-12(13(17)18-3)14(11,2)9-15/h9,11-12H,4-8H2,1-3H3/t11-,12-,14+/m0/s1