2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]-8-methyl-nonanoic acid

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]-8-methyl-nonanoic acid Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl]-8-methyl-nonanoic acid CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]-8-methylnonanoic acid IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]-8-methylnonanoic acid Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-benzyl)thio]-8-methyl-pelargonic acid Formula: C25H42O3S MolecularWeight: 422.66418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(C(=O)O)SCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)CCCCCC(C(=O)O)SCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C25H42O3S/c1-17(2)12-10-9-11-13-21(23(27)28)29-16-18-14-19(24(3,4)5)22(26)20(15-18)25(6,7)8/h14-15,17,21,26H,9-13,16H2,1-8H3,(H,27,28)