5-heptadecylsulfanyl-2,3-dimethoxy-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 5-heptadecylsulfanyl-2,3-dimethoxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: 5-heptadecylsulfanyl-2,3-dimethoxy-1,4-benzoquinone CAS Name: 5-(heptadecylthio)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 5-heptadecylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 5-(heptadecylthio)-2,3-dimethoxy-p-benzoquinone Formula: C25H42O4S MolecularWeight: 438.66358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCSC1=CC(=O)C(=C(C1=O)OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCSC1=CC(=O)C(=C(C1=O)OC)OC

InChI

InChI=1S/C25H42O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-22-20-21(26)24(28-2)25(29-3)23(22)27/h20H,4-19H2,1-3H3