(5S,5aS,9aS)-9a-methoxy-7-oxidanylidene-2,3,4,5,5a,6-hexahydro-1-benzoxepine-5-carbaldehyde

Systemtic Name: (5S,5aS,9aS)-9a-methoxy-7-oxidanylidene-2,3,4,5,5a,6-hexahydro-1-benzoxepine-5-carbaldehyde Openeye Name: (5S,5aS,9aS)-9a-methoxy-7-oxo-2,3,4,5,5a,6-hexahydro-1-benzoxepine-5-carbaldehyde CAS Name: (5S,5aS,9aS)-9a-methoxy-7-oxo-2,3,4,5,5a,6-hexahydro-1-benzoxepin-5-carboxaldehyde IUPAC Name: (5S,5aS,9aS)-9a-methoxy-7-oxo-2,3,4,5,5a,6-hexahydro-1-benzoxepine-5-carbaldehyde Traditional Name: (5S,5aS,9aS)-7-keto-9a-methoxy-2,3,4,5,5a,6-hexahydro-1-benzoxepin-5-carbaldehyde Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

COC12C=CC(=O)CC1C(CCCO2)C=O

Isomeric SMILES

CO[C@]12C=CC(=O)C[C@H]1[C@H](CCCO2)C=O

InChI

InChI=1S/C12H16O4/c1-15-12-5-4-10(14)7-11(12)9(8-13)3-2-6-16-12/h4-5,8-9,11H,2-3,6-7H2,1H3/t9-,11+,12+/m1/s1