methyl (1S,4R)-1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: methyl (1S,4R)-1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carboxylate Openeye Name: methyl (1R,4S)-4,7,7-trimethyl-3-oxo-norbornane-1-carboxylate CAS Name: (1S,4R)-1,7,7-trimethyl-2-oxo-4-bicyclo[2.2.1]heptanecarboxylic acid methyl ester IUPAC Name: methyl (1S,4R)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carboxylate Traditional Name: (1R,4S)-3-keto-4,7,7-trimethyl-norbornane-1-carboxylic acid methyl ester Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(CC2=O)C(=O)OC)C)C

Isomeric SMILES

C[C@]12CC[C@](C1(C)C)(CC2=O)C(=O)OC

InChI

InChI=1S/C12H18O3/c1-10(2)11(3)5-6-12(10,7-8(11)13)9(14)15-4/h5-7H2,1-4H3/t11-,12+/m1/s1