4-butyl-2,6-ditert-butyl-4-chloranyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-butyl-2,6-ditert-butyl-4-chloranyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-butyl-2,6-ditert-butyl-4-chloro-cyclohexa-2,5-dien-1-one CAS Name: 4-butyl-2,6-ditert-butyl-4-chloro-1-cyclohexa-2,5-dienone IUPAC Name: 4-butyl-2,6-ditert-butyl-4-chlorocyclohexa-2,5-dien-1-one Traditional Name: 4-butyl-2,6-ditert-butyl-4-chloro-cyclohexa-2,5-dien-1-one Formula: C18H29ClO MolecularWeight: 296.87526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)Cl

Isomeric SMILES

CCCCC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)Cl

InChI

InChI=1S/C18H29ClO/c1-8-9-10-18(19)11-13(16(2,3)4)15(20)14(12-18)17(5,6)7/h11-12H,8-10H2,1-7H3