ethyl (5aS,9aR)-3-oxidanylidene-1,4,5,5a,8,9-hexahydro-2-benzoxepine-9a-carboxylate

Systemtic Name: ethyl (5aS,9aR)-3-oxidanylidene-1,4,5,5a,8,9-hexahydro-2-benzoxepine-9a-carboxylate Openeye Name: ethyl (5aS,9aR)-3-oxo-1,4,5,5a,8,9-hexahydro-2-benzoxepine-9a-carboxylate CAS Name: (5aS,9aR)-3-oxo-1,4,5,5a,8,9-hexahydro-2-benzoxepin-9a-carboxylic acid ethyl ester IUPAC Name: ethyl (5aS,9aR)-3-oxo-1,4,5,5a,8,9-hexahydro-2-benzoxepine-9a-carboxylate Traditional Name: (5aS,9aR)-3-keto-1,4,5,5a,8,9-hexahydro-2-benzoxepin-9a-carboxylic acid ethyl ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCC=CC1CCC(=O)OC2

Isomeric SMILES

CCOC(=O)[C@]12CCC=C[C@@H]1CCC(=O)OC2

InChI

InChI=1S/C13H18O4/c1-2-16-12(15)13-8-4-3-5-10(13)6-7-11(14)17-9-13/h3,5,10H,2,4,6-9H2,1H3/t10-,13+/m1/s1