5-[(4-dodecylphenyl)methylsulfanyl]-2,3-dimethoxy-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 5-[(4-dodecylphenyl)methylsulfanyl]-2,3-dimethoxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: 5-[(4-dodecylphenyl)methylsulfanyl]-2,3-dimethoxy-1,4-benzoquinone CAS Name: 5-[(4-dodecylphenyl)methylthio]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 5-[(4-dodecylphenyl)methylsulfanyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 5-[(4-laurylbenzyl)thio]-2,3-dimethoxy-p-benzoquinone Formula: C27H38O4S MolecularWeight: 458.65322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)CSC2=CC(=O)C(=C(C2=O)OC)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)CSC2=CC(=O)C(=C(C2=O)OC)OC

InChI

InChI=1S/C27H38O4S/c1-4-5-6-7-8-9-10-11-12-13-14-21-15-17-22(18-16-21)20-32-24-19-23(28)26(30-2)27(31-3)25(24)29/h15-19H,4-14,20H2,1-3H3