5-methyl-2,6,6-tris(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 5-methyl-2,6,6-tris(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 5-methyl-2,6,6-tris(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one CAS Name: 5-methyl-2,6,6-tris[(methylthio)methyl]-1-cyclohexa-2,4-dienone IUPAC Name: 5-methyl-2,6,6-tris(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one Traditional Name: 5-methyl-2,6,6-tris[(methylthio)methyl]cyclohexa-2,4-dien-1-one Formula: C13H20OS3 MolecularWeight: 288.4923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)C1(CSC)CSC)CSC

Isomeric SMILES

CC1=CC=C(C(=O)C1(CSC)CSC)CSC

InChI

InChI=1S/C13H20OS3/c1-10-5-6-11(7-15-2)12(14)13(10,8-16-3)9-17-4/h5-6H,7-9H2,1-4H3