methyl (3aS,7aS)-2,2-dimethyl-7-oxidanylidene-3,3a,4,7a-tetrahydro-1H-indene-5-carboxylate

Systemtic Name: methyl (3aS,7aS)-2,2-dimethyl-7-oxidanylidene-3,3a,4,7a-tetrahydro-1H-indene-5-carboxylate Openeye Name: methyl (3aS,7aS)-2,2-dimethyl-7-oxo-3,3a,4,7a-tetrahydro-1H-indene-5-carboxylate CAS Name: (3aS,7aS)-2,2-dimethyl-7-oxo-3,3a,4,7a-tetrahydro-1H-indene-5-carboxylic acid methyl ester IUPAC Name: methyl (3aS,7aS)-2,2-dimethyl-7-oxo-3,3a,4,7a-tetrahydro-1H-indene-5-carboxylate Traditional Name: (3aS,7aS)-7-keto-2,2-dimethyl-3,3a,4,7a-tetrahydro-1H-indene-5-carboxylic acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(=CC(=O)C2C1)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-13(2)6-9-4-8(12(15)16-3)5-11(14)10(9)7-13/h5,9-10H,4,6-7H2,1-3H3/t9-,10+/m1/s1