methyl (3aS,6R,6aS)-3a-hex-5-enyl-6-methoxy-3-oxidanylidene-1,2,4,5,6,6a-hexahydropentalene-2-carboxylate

Systemtic Name: methyl (3aS,6R,6aS)-3a-hex-5-enyl-6-methoxy-3-oxidanylidene-1,2,4,5,6,6a-hexahydropentalene-2-carboxylate Openeye Name: methyl (3aS,6R,6aS)-3a-hex-5-enyl-6-methoxy-3-oxo-1,2,4,5,6,6a-hexahydropentalene-2-carboxylate CAS Name: (3aS,6R,6aS)-3a-hex-5-enyl-6-methoxy-3-oxo-1,2,4,5,6,6a-hexahydropentalene-2-carboxylic acid methyl ester IUPAC Name: methyl (3aS,6R,6aS)-3a-hex-5-enyl-6-methoxy-3-oxo-1,2,4,5,6,6a-hexahydropentalene-2-carboxylate Traditional Name: (3aS,6R,6aS)-3a-hex-5-enyl-3-keto-6-methoxy-1,2,4,5,6,6a-hexahydropentalene-2-carboxylic acid methyl ester Formula: C17H26O4 MolecularWeight: 294.38594

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC2(C1CC(C2=O)C(=O)OC)CCCCC=C

Isomeric SMILES

CO[C@@H]1CC[C@]2([C@@H]1CC(C2=O)C(=O)OC)CCCCC=C

InChI

InChI=1S/C17H26O4/c1-4-5-6-7-9-17-10-8-14(20-2)13(17)11-12(15(17)18)16(19)21-3/h4,12-14H,1,5-11H2,2-3H3/t12?,13-,14-,17+/m1/s1