5a,8,9,9a-tetrahydro-2,3,4-benzotrioxepine-1,5-dione

Systemtic Name: 5a,8,9,9a-tetrahydro-2,3,4-benzotrioxepine-1,5-dione Openeye Name: 5a,8,9,9a-tetrahydro-2,3,4-benzotrioxepine-1,5-dione CAS Name: 5a,8,9,9a-tetrahydro-2,3,4-benzotrioxepin-1,5-dione IUPAC Name: 5a,8,9,9a-tetrahydro-2,3,4-benzotrioxepine-1,5-dione Traditional Name: 5a,8,9,9a-tetrahydro-2,3,4-benzotrioxepin-1,5-quinone Formula: C8H8O5 MolecularWeight: 184.14612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C=C1)C(=O)OOOC2=O

Isomeric SMILES

C1CC2C(C=C1)C(=O)OOOC2=O

InChI

InChI=1S/C8H8O5/c9-7-5-3-1-2-4-6(5)8(10)12-13-11-7/h1,3,5-6H,2,4H2