2,3,5,6-tetrakis(2-methylundecan-2-ylsulfanyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3,5,6-tetrakis(2-methylundecan-2-ylsulfanyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3,5,6-tetrakis(1,1-dimethyldecylsulfanyl)-1,4-benzoquinone CAS Name: 2,3,5,6-tetrakis(2-methylundecan-2-ylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3,5,6-tetrakis(2-methylundecan-2-ylsulfanyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,3,5,6-tetrakis(1,1-dimethyldecylthio)-p-benzoquinone Formula: C54H100O2S4 MolecularWeight: 909.6306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C)SC1=C(C(=O)C(=C(C1=O)SC(C)(C)CCCCCCCCC)SC(C)(C)CCCCCCCCC)SC(C)(C)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(C)(C)SC1=C(C(=O)C(=C(C1=O)SC(C)(C)CCCCCCCCC)SC(C)(C)CCCCCCCCC)SC(C)(C)CCCCCCCCC

InChI

InChI=1S/C54H100O2S4/c1-13-17-21-25-29-33-37-41-51(5,6)57-47-45(55)49(59-53(9,10)43-39-35-31-27-23-19-15-3)50(60-54(11,12)44-40-36-32-28-24-20-16-4)46(56)48(47)58-52(7,8)42-38-34-30-26-22-18-14-2/h13-44H2,1-12H3