dimethyl (3aS,4S)-4-ethyl-5-oxidanylidene-6-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate

Systemtic Name: dimethyl (3aS,4S)-4-ethyl-5-oxidanylidene-6-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Openeye Name: dimethyl (3aS,4S)-4-ethyl-5-oxo-6-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate CAS Name: (3aS,4S)-4-ethyl-5-oxo-6-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3aS,4S)-4-ethyl-5-oxo-6-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Traditional Name: (3aS,4S)-4-ethyl-5-keto-6-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid dimethyl ester Formula: C20H22O5 MolecularWeight: 342.38568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(CC2=C(C1=O)C3=CC=CC=C3)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC[C@H]1[C@@H]2CC(CC2=C(C1=O)C3=CC=CC=C3)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H22O5/c1-4-13-14-10-20(18(22)24-2,19(23)25-3)11-15(14)16(17(13)21)12-8-6-5-7-9-12/h5-9,13-14H,4,10-11H2,1-3H3/t13-,14-/m0/s1