methyl (4aR,8aS)-8a-methyl-8-oxidanylidene-1,4,4a,5,6,7-hexahydronaphthalene-2-carboxylate

Systemtic Name: methyl (4aR,8aS)-8a-methyl-8-oxidanylidene-1,4,4a,5,6,7-hexahydronaphthalene-2-carboxylate Openeye Name: methyl (4aR,8aS)-8a-methyl-8-oxo-1,4,4a,5,6,7-hexahydronaphthalene-2-carboxylate CAS Name: (4aR,8aS)-8a-methyl-8-oxo-1,4,4a,5,6,7-hexahydronaphthalene-2-carboxylic acid methyl ester IUPAC Name: methyl (4aR,8aS)-8a-methyl-8-oxo-1,4,4a,5,6,7-hexahydronaphthalene-2-carboxylate Traditional Name: (4aR,8aS)-8-keto-8a-methyl-1,4,4a,5,6,7-hexahydronaphthalene-2-carboxylic acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=CCC1CCCC2=O)C(=O)OC

Isomeric SMILES

C[C@]12CC(=CC[C@H]1CCCC2=O)C(=O)OC

InChI

InChI=1S/C13H18O3/c1-13-8-9(12(15)16-2)6-7-10(13)4-3-5-11(13)14/h6,10H,3-5,7-8H2,1-2H3/t10-,13+/m1/s1