methyl (2S,4aR,8aR)-4a-methyl-4-oxidanylidene-1,2,3,5,6,8a-hexahydronaphthalene-2-carboxylate

Systemtic Name: methyl (2S,4aR,8aR)-4a-methyl-4-oxidanylidene-1,2,3,5,6,8a-hexahydronaphthalene-2-carboxylate Openeye Name: methyl (2S,4aR,8aR)-4a-methyl-4-oxo-1,2,3,5,6,8a-hexahydronaphthalene-2-carboxylate CAS Name: (2S,4aR,8aR)-4a-methyl-4-oxo-1,2,3,5,6,8a-hexahydronaphthalene-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,4aR,8aR)-4a-methyl-4-oxo-1,2,3,5,6,8a-hexahydronaphthalene-2-carboxylate Traditional Name: (2S,4aR,8aR)-4-keto-4a-methyl-1,2,3,5,6,8a-hexahydronaphthalene-2-carboxylic acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC=CC1CC(CC2=O)C(=O)OC

Isomeric SMILES

C[C@@]12CCC=C[C@H]1C[C@@H](CC2=O)C(=O)OC

InChI

InChI=1S/C13H18O3/c1-13-6-4-3-5-10(13)7-9(8-11(13)14)12(15)16-2/h3,5,9-10H,4,6-8H2,1-2H3/t9-,10-,13+/m0/s1