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

Systemtic Name: diethyl (3aS,4S)-4,6-dimethyl-5-oxidanylidene-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Openeye Name: diethyl (3aS,4S)-4,6-dimethyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate CAS Name: (3aS,4S)-4,6-dimethyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3aS,4S)-4,6-dimethyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Traditional Name: (3aS,4S)-5-keto-4,6-dimethyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid diethyl ester Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2C(C(=O)C(=C2C1)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(C[C@H]2[C@@H](C(=O)C(=C2C1)C)C)C(=O)OCC

InChI

InChI=1S/C16H22O5/c1-5-20-14(18)16(15(19)21-6-2)7-11-9(3)13(17)10(4)12(11)8-16/h9,11H,5-8H2,1-4H3/t9-,11-/m0/s1