methyl 2-[(1S,6aR)-1,5,5-trimethyl-2-oxidanylidene-6,6a-dihydro-4H-pentalen-1-yl]ethanoate

Systemtic Name: methyl 2-[(1S,6aR)-1,5,5-trimethyl-2-oxidanylidene-6,6a-dihydro-4H-pentalen-1-yl]ethanoate Openeye Name: methyl 2-[(1S,6aR)-1,5,5-trimethyl-2-oxo-6,6a-dihydro-4H-pentalen-1-yl]acetate CAS Name: 2-[(1S,6aR)-1,5,5-trimethyl-2-oxo-6,6a-dihydro-4H-pentalen-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(1S,6aR)-1,5,5-trimethyl-2-oxo-6,6a-dihydro-4H-pentalen-1-yl]acetate Traditional Name: 2-[(1S,6aR)-2-keto-1,5,5-trimethyl-6,6a-dihydro-4H-pentalen-1-yl]acetic acid methyl ester Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C(=CC(=O)C2(C)CC(=O)OC)C1)C

Isomeric SMILES

C[C@@]1([C@@H]2CC(CC2=CC1=O)(C)C)CC(=O)OC

InChI

InChI=1S/C14H20O3/c1-13(2)6-9-5-11(15)14(3,10(9)7-13)8-12(16)17-4/h5,10H,6-8H2,1-4H3/t10-,14+/m1/s1