7-methyl-5a,6,9,9a-tetrahydro-1,3,5-benzotrioxepine-2,4-dione

Systemtic Name: 7-methyl-5a,6,9,9a-tetrahydro-1,3,5-benzotrioxepine-2,4-dione Openeye Name: 7-methyl-5a,6,9,9a-tetrahydro-1,3,5-benzotrioxepine-2,4-dione CAS Name: 7-methyl-5a,6,9,9a-tetrahydro-1,3,5-benzotrioxepin-2,4-dione IUPAC Name: 7-methyl-5a,6,9,9a-tetrahydro-1,3,5-benzotrioxepine-2,4-dione Traditional Name: 7-methyl-5a,6,9,9a-tetrahydro-1,3,5-benzotrioxepin-2,4-quinone Formula: C9H10O5 MolecularWeight: 198.1727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)OC(=O)OC(=O)O2

Isomeric SMILES

CC1=CCC2C(C1)OC(=O)OC(=O)O2

InChI

InChI=1S/C9H10O5/c1-5-2-3-6-7(4-5)13-9(11)14-8(10)12-6/h2,6-7H,3-4H2,1H3