4-[[3,5-bis(2-methylbutan-2-yl)-4-oxidanyl-phenyl]methylsulfanyl]cyclohexane-1,2-dicarboxylic acid

Systemtic Name: 4-[[3,5-bis(2-methylbutan-2-yl)-4-oxidanyl-phenyl]methylsulfanyl]cyclohexane-1,2-dicarboxylic acid Openeye Name: 4-[[3,5-bis(1,1-dimethylpropyl)-4-hydroxy-phenyl]methylsulfanyl]cyclohexane-1,2-dicarboxylic acid CAS Name: 4-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methylthio]cyclohexane-1,2-dicarboxylic acid IUPAC Name: 4-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methylsulfanyl]cyclohexane-1,2-dicarboxylic acid Traditional Name: 4-[(3,5-ditert-amyl-4-hydroxy-benzyl)thio]cyclohexane-1,2-dicarboxylic acid Formula: C25H38O5S MolecularWeight: 450.63122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CC)CSC2CCC(C(C2)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CC)CSC2CCC(C(C2)C(=O)O)C(=O)O

InChI

InChI=1S/C25H38O5S/c1-7-24(3,4)19-11-15(12-20(21(19)26)25(5,6)8-2)14-31-16-9-10-17(22(27)28)18(13-16)23(29)30/h11-12,16-18,26H,7-10,13-14H2,1-6H3,(H,27,28)(H,29,30)