8-tert-butyl-1-benzoxepine-3,5-dione

Systemtic Name: 8-tert-butyl-1-benzoxepine-3,5-dione Openeye Name: 8-tert-butyl-1-benzoxepine-3,5-dione CAS Name: 8-tert-butyl-1-benzoxepin-3,5-dione IUPAC Name: 8-tert-butyl-1-benzoxepine-3,5-dione Traditional Name: 8-tert-butyl-1-benzoxepin-3,5-quinone Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C(=O)CC(=O)CO2

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C(=O)CC(=O)CO2

InChI

InChI=1S/C14H16O3/c1-14(2,3)9-4-5-11-12(16)7-10(15)8-17-13(11)6-9/h4-6H,7-8H2,1-3H3