2-hexadecylsulfanyl-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-hexadecylsulfanyl-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-hexadecylsulfanyl-5,6-dimethoxy-3-methyl-1,4-benzoquinone CAS Name: 2-(hexadecylthio)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-hexadecylsulfanyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(cetylthio)-5,6-dimethoxy-3-methyl-p-benzoquinone Formula: C25H42O4S MolecularWeight: 438.66358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)C

InChI

InChI=1S/C25H42O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-25-20(2)21(26)23(28-3)24(29-4)22(25)27/h5-19H2,1-4H3