methyl (3aR,8aS)-1-ethoxy-3-oxidanylidene-4,5,6,7,8,8a-hexahydroazulene-3a-carboxylate

Systemtic Name: methyl (3aR,8aS)-1-ethoxy-3-oxidanylidene-4,5,6,7,8,8a-hexahydroazulene-3a-carboxylate Openeye Name: methyl (3aR,8aS)-1-ethoxy-3-oxo-4,5,6,7,8,8a-hexahydroazulene-3a-carboxylate CAS Name: (3aR,8aS)-1-ethoxy-3-oxo-4,5,6,7,8,8a-hexahydroazulene-3a-carboxylic acid methyl ester IUPAC Name: methyl (3aR,8aS)-1-ethoxy-3-oxo-4,5,6,7,8,8a-hexahydroazulene-3a-carboxylate Traditional Name: (3aR,8aS)-1-ethoxy-3-keto-4,5,6,7,8,8a-hexahydroazulene-3a-carboxylic acid methyl ester Formula: C14H20O4 MolecularWeight: 252.3062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C2(C1CCCCC2)C(=O)OC

Isomeric SMILES

CCOC1=CC(=O)[C@@]2([C@@H]1CCCCC2)C(=O)OC

InChI

InChI=1S/C14H20O4/c1-3-18-11-9-12(15)14(13(16)17-2)8-6-4-5-7-10(11)14/h9-10H,3-8H2,1-2H3/t10-,14-/m1/s1