2-chloranyl-1-[2,6-ditert-butyl-4-(dioxidanyl)cyclohexa-1,5-dien-1-yl]ethanone

Systemtic Name: 2-chloranyl-1-[2,6-ditert-butyl-4-(dioxidanyl)cyclohexa-1,5-dien-1-yl]ethanone Openeye Name: 2-chloro-1-(2,6-ditert-butyl-4-hydroperoxy-cyclohexa-1,5-dien-1-yl)ethanone CAS Name: 2-chloro-1-(2,6-ditert-butyl-4-hydroperoxy-1-cyclohexa-1,5-dienyl)ethanone IUPAC Name: 2-chloro-1-(2,6-ditert-butyl-4-hydroperoxycyclohexa-1,5-dien-1-yl)ethanone Traditional Name: 2-chloro-1-(2,6-ditert-butyl-4-hydroperoxy-cyclohexa-1,5-dien-1-yl)ethanone Formula: C16H25ClO3 MolecularWeight: 300.8209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClO3/c1-15(2,3)11-7-10(20-19)8-12(16(4,5)6)14(11)13(18)9-17/h7,10,19H,8-9H2,1-6H3