methyl (3aS,6aS)-5-oxidanylidene-3a,4,6,6a-tetrahydro-1H-pentalene-1-carboxylate

Systemtic Name: methyl (3aS,6aS)-5-oxidanylidene-3a,4,6,6a-tetrahydro-1H-pentalene-1-carboxylate Openeye Name: methyl (3aS,6aS)-5-oxo-3a,4,6,6a-tetrahydro-1H-pentalene-1-carboxylate CAS Name: (3aS,6aS)-5-oxo-3a,4,6,6a-tetrahydro-1H-pentalene-1-carboxylic acid methyl ester IUPAC Name: methyl (3aS,6aS)-5-oxo-3a,4,6,6a-tetrahydro-1H-pentalene-1-carboxylate Traditional Name: (3aS,6aS)-5-keto-3a,4,6,6a-tetrahydro-1H-pentalene-1-carboxylic acid methyl ester Formula: C10H12O3 MolecularWeight: 180.20048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=CC2C1CC(=O)C2

Isomeric SMILES

COC(=O)C1C=C[C@H]2[C@@H]1CC(=O)C2

InChI

InChI=1S/C10H12O3/c1-13-10(12)8-3-2-6-4-7(11)5-9(6)8/h2-3,6,8-9H,4-5H2,1H3/t6-,8?,9+/m1/s1