9a-methyl-4,5,8,9-tetrahydro-3H-1-benzoxepine-2,7-dione

Systemtic Name: 9a-methyl-4,5,8,9-tetrahydro-3H-1-benzoxepine-2,7-dione Openeye Name: 9a-methyl-4,5,8,9-tetrahydro-3H-1-benzoxepine-2,7-dione CAS Name: 9a-methyl-4,5,8,9-tetrahydro-3H-1-benzoxepin-2,7-dione IUPAC Name: 9a-methyl-4,5,8,9-tetrahydro-3H-1-benzoxepine-2,7-dione Traditional Name: 9a-methyl-4,5,8,9-tetrahydro-3H-1-benzoxepin-2,7-quinone Formula: C11H14O3 MolecularWeight: 194.22706

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCCC(=O)O2

Isomeric SMILES

CC12CCC(=O)C=C1CCCC(=O)O2

InChI

InChI=1S/C11H14O3/c1-11-6-5-9(12)7-8(11)3-2-4-10(13)14-11/h7H,2-6H2,1H3