methyl (3R,3aS,6aR)-6,6-dimethyl-5-oxidanylidene-3-phenyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate

Systemtic Name: methyl (3R,3aS,6aR)-6,6-dimethyl-5-oxidanylidene-3-phenyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate Openeye Name: methyl (3R,3aS,6aR)-6,6-dimethyl-5-oxo-3-phenyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate CAS Name: (3R,3aS,6aR)-6,6-dimethyl-5-oxo-3-phenyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylic acid methyl ester IUPAC Name: methyl (3R,3aS,6aR)-6,6-dimethyl-5-oxo-3-phenyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate Traditional Name: (3R,3aS,6aR)-5-keto-6,6-dimethyl-3-phenyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylic acid methyl ester Formula: C18H22O3 MolecularWeight: 286.36548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C2(CC1=O)C(=O)OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1([C@H]2CC[C@@H]([C@]2(CC1=O)C(=O)OC)C3=CC=CC=C3)C

InChI

InChI=1S/C18H22O3/c1-17(2)14-10-9-13(12-7-5-4-6-8-12)18(14,11-15(17)19)16(20)21-3/h4-8,13-14H,9-11H2,1-3H3/t13-,14-,18+/m1/s1