methyl (3aR,7aS)-2,2,6-trimethyl-4-oxidanylidene-1,3,7,7a-tetrahydroindene-3a-carboxylate

Systemtic Name: methyl (3aR,7aS)-2,2,6-trimethyl-4-oxidanylidene-1,3,7,7a-tetrahydroindene-3a-carboxylate Openeye Name: methyl (3aR,7aS)-2,2,6-trimethyl-4-oxo-1,3,7,7a-tetrahydroindene-3a-carboxylate CAS Name: (3aR,7aS)-2,2,6-trimethyl-4-oxo-1,3,7,7a-tetrahydroindene-3a-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aS)-2,2,6-trimethyl-4-oxo-1,3,7,7a-tetrahydroindene-3a-carboxylate Traditional Name: (3aR,7aS)-4-keto-2,2,6-trimethyl-1,3,7,7a-tetrahydroindene-3a-carboxylic acid methyl ester Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2(CC(CC2C1)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=O)[C@]2(CC(C[C@H]2C1)(C)C)C(=O)OC

InChI

InChI=1S/C14H20O3/c1-9-5-10-7-13(2,3)8-14(10,11(15)6-9)12(16)17-4/h6,10H,5,7-8H2,1-4H3/t10-,14-/m1/s1