4,5,5a,6,7,8,9,9a-octahydro-3H-benzo[b]oxepin-2-one

Systemtic Name: 4,5,5a,6,7,8,9,9a-octahydro-3H-benzo[b]oxepin-2-one Openeye Name: 4,5,5a,6,7,8,9,9a-octahydro-3H-benzo[b]oxepin-2-one CAS Name: 4,5,5a,6,7,8,9,9a-octahydro-3H-benzo[b]oxepin-2-one IUPAC Name: 4,5,5a,6,7,8,9,9a-octahydro-3H-benzo[b]oxepin-2-one Traditional Name: 4,5,5a,6,7,8,9,9a-octahydro-3H-benzo[b]oxepin-2-one Formula: C10H16O2 MolecularWeight: 168.23284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CCCC(=O)O2

Isomeric SMILES

C1CCC2C(C1)CCCC(=O)O2

InChI

InChI=1S/C10H16O2/c11-10-7-3-5-8-4-1-2-6-9(8)12-10/h8-9H,1-7H2