2-butan-2-yl-6,6-bis(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 2-butan-2-yl-6,6-bis(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 6,6-bis(methylsulfanylmethyl)-2-sec-butyl-cyclohexa-2,4-dien-1-one CAS Name: 2-butan-2-yl-6,6-bis[(methylthio)methyl]-1-cyclohexa-2,4-dienone IUPAC Name: 2-butan-2-yl-6,6-bis(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one Traditional Name: 6,6-bis[(methylthio)methyl]-2-sec-butyl-cyclohexa-2,4-dien-1-one Formula: C14H22OS2 MolecularWeight: 270.45388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22OS2/c1-5-11(2)12-7-6-8-14(9-16-3,10-17-4)13(12)15/h6-8,11H,5,9-10H2,1-4H3