4-(bromomethyl)-2,4,6-tritert-butyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(bromomethyl)-2,4,6-tritert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-(bromomethyl)-2,4,6-tritert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-(bromomethyl)-2,4,6-tritert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-(bromomethyl)-2,4,6-tritert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-(bromomethyl)-2,4,6-tritert-butyl-cyclohexa-2,5-dien-1-one Formula: C19H31BrO MolecularWeight: 355.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(CBr)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(CBr)C(C)(C)C

InChI

InChI=1S/C19H31BrO/c1-16(2,3)13-10-19(12-20,18(7,8)9)11-14(15(13)21)17(4,5)6/h10-11H,12H2,1-9H3