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

Systemtic Name: 6,6-bis(methylsulfanylmethyl)-2-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 2-benzyl-6,6-bis(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one CAS Name: 6,6-bis[(methylthio)methyl]-2-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 2-benzyl-6,6-bis(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one Traditional Name: 2-benzyl-6,6-bis[(methylthio)methyl]cyclohexa-2,4-dien-1-one Formula: C17H20OS2 MolecularWeight: 304.4701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1(C=CC=C(C1=O)CC2=CC=CC=C2)CSC

Isomeric SMILES

CSCC1(C=CC=C(C1=O)CC2=CC=CC=C2)CSC

InChI

InChI=1S/C17H20OS2/c1-19-12-17(13-20-2)10-6-9-15(16(17)18)11-14-7-4-3-5-8-14/h3-10H,11-13H2,1-2H3