(5aR,9aS)-5a,6,7,8,9,9a-hexahydrobenzo[b][1,4]dioxepine-2,4-dione

Systemtic Name: (5aR,9aS)-5a,6,7,8,9,9a-hexahydrobenzo[b][1,4]dioxepine-2,4-dione Openeye Name: (5aR,9aS)-5a,6,7,8,9,9a-hexahydrobenzo[b][1,4]dioxepine-2,4-dione CAS Name: (5aR,9aS)-5a,6,7,8,9,9a-hexahydrobenzo[b][1,4]dioxepin-2,4-dione IUPAC Name: (5aR,9aS)-5a,6,7,8,9,9a-hexahydrobenzo[b][1,4]dioxepine-2,4-dione Traditional Name: (5aR,9aS)-5a,6,7,8,9,9a-hexahydrobenzo[b][1,4]dioxepin-2,4-quinone Formula: C9H12O4 MolecularWeight: 184.18918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)OC(=O)CC(=O)O2

Isomeric SMILES

C1CC[C@H]2[C@@H](C1)OC(=O)CC(=O)O2

InChI

InChI=1S/C9H12O4/c10-8-5-9(11)13-7-4-2-1-3-6(7)12-8/h6-7H,1-5H2/t6-,7+