ethyl 3,5-ditert-butyl-3-(dioxidanyl)-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: ethyl 3,5-ditert-butyl-3-(dioxidanyl)-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate Openeye Name: ethyl 3,5-ditert-butyl-3-hydroperoxy-4-oxo-cyclohexa-1,5-diene-1-carboxylate CAS Name: 3,5-ditert-butyl-3-hydroperoxy-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-ditert-butyl-3-hydroperoxy-4-oxocyclohexa-1,5-diene-1-carboxylate Traditional Name: 3,5-ditert-butyl-3-hydroperoxy-4-keto-cyclohexa-1,5-diene-1-carboxylic acid ethyl ester Formula: C17H26O5 MolecularWeight: 310.38534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(C(=O)C(=C1)C(C)(C)C)(C(C)(C)C)OO

Isomeric SMILES

CCOC(=O)C1=CC(C(=O)C(=C1)C(C)(C)C)(C(C)(C)C)OO

InChI

InChI=1S/C17H26O5/c1-8-21-14(19)11-9-12(15(2,3)4)13(18)17(10-11,22-20)16(5,6)7/h9-10,20H,8H2,1-7H3