2-octadecylsulfanylcyclohexa-2,5-diene-1,4-dione; 1,2,4,5-tetramethylbenzene

Systemtic Name: 2-octadecylsulfanylcyclohexa-2,5-diene-1,4-dione; 1,2,4,5-tetramethylbenzene Openeye Name: 2-octadecylsulfanyl-1,4-benzoquinone; 1,2,4,5-tetramethylbenzene CAS Name: 2-(octadecylthio)cyclohexa-2,5-diene-1,4-dione; 1,2,4,5-tetramethylbenzene IUPAC Name: 2-octadecylsulfanylcyclohexa-2,5-diene-1,4-dione; 1,2,4,5-tetramethylbenzene Traditional Name: durene; 2-(stearylthio)-p-benzoquinone Formula: C34H54O2S MolecularWeight: 526.85636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC(=O)C=CC1=O.CC1=CC(=C(C=C1C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC(=O)C=CC1=O.CC1=CC(=C(C=C1C)C)C

InChI

InChI=1S/C24H40O2S.C10H14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-24-21-22(25)18-19-23(24)26;1-7-5-9(3)10(4)6-8(7)2/h18-19,21H,2-17,20H2,1H3;5-6H,1-4H3