2-tert-butyl-6-(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 2-tert-butyl-6-(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 2-tert-butyl-6-(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one CAS Name: 2-tert-butyl-6-[(methylthio)methyl]-1-cyclohexa-2,4-dienone IUPAC Name: 2-tert-butyl-6-(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one Traditional Name: 2-tert-butyl-6-[(methylthio)methyl]cyclohexa-2,4-dien-1-one Formula: C12H18OS MolecularWeight: 210.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(C1=O)CSC

Isomeric SMILES

CC(C)(C)C1=CC=CC(C1=O)CSC

InChI

InChI=1S/C12H18OS/c1-12(2,3)10-7-5-6-9(8-14-4)11(10)13/h5-7,9H,8H2,1-4H3