4-[3,5-bis(2-methylpentan-2-yl)-4-oxidanyl-phenyl]-5-hexylsulfanyl-1,2-dithiole-3-thione

Systemtic Name: 4-[3,5-bis(2-methylpentan-2-yl)-4-oxidanyl-phenyl]-5-hexylsulfanyl-1,2-dithiole-3-thione Openeye Name: 4-[3,5-bis(1,1-dimethylbutyl)-4-hydroxy-phenyl]-5-hexylsulfanyl-dithiole-3-thione CAS Name: 5-(hexylthio)-4-[4-hydroxy-3,5-bis(2-methylpentan-2-yl)phenyl]-3-dithiolethione IUPAC Name: 5-hexylsulfanyl-4-[4-hydroxy-3,5-bis(2-methylpentan-2-yl)phenyl]dithiole-3-thione Traditional Name: 4-[3,5-bis(1,1-dimethylbutyl)-4-hydroxy-phenyl]-5-(hexylthio)dithiole-3-thione Formula: C27H42OS4 MolecularWeight: 510.88178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(=S)SS1)C2=CC(=C(C(=C2)C(C)(C)CCC)O)C(C)(C)CCC

Isomeric SMILES

CCCCCCSC1=C(C(=S)SS1)C2=CC(=C(C(=C2)C(C)(C)CCC)O)C(C)(C)CCC

InChI

InChI=1S/C27H42OS4/c1-8-11-12-13-16-30-25-22(24(29)31-32-25)19-17-20(26(4,5)14-9-2)23(28)21(18-19)27(6,7)15-10-3/h17-18,28H,8-16H2,1-7H3