(5aR,9aR)-5a,6,7,8,9,9a-hexahydro-5H-benzo[d]oxepine-1,4-dione

Systemtic Name: (5aR,9aR)-5a,6,7,8,9,9a-hexahydro-5H-benzo[d]oxepine-1,4-dione Openeye Name: (5aR,9aR)-5a,6,7,8,9,9a-hexahydro-5H-benzo[d]oxepine-1,4-dione CAS Name: (5aR,9aR)-5a,6,7,8,9,9a-hexahydro-5H-benzo[d]oxepin-1,4-dione IUPAC Name: (5aR,9aR)-5a,6,7,8,9,9a-hexahydro-5H-benzo[d]oxepine-1,4-dione Traditional Name: (5aR,9aR)-5a,6,7,8,9,9a-hexahydro-5H-benzo[d]oxepin-1,4-quinone Formula: C10H14O3 MolecularWeight: 182.21636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CC(=O)OCC2=O

Isomeric SMILES

C1CC[C@@H]2[C@H](C1)CC(=O)OCC2=O

InChI

InChI=1S/C10H14O3/c11-9-6-13-10(12)5-7-3-1-2-4-8(7)9/h7-8H,1-6H2/t7-,8-/m1/s1