2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]-13-methyl-tetradecanoic acid

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]-13-methyl-tetradecanoic acid Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl]-13-methyl-tetradecanoic acid CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]-13-methyltetradecanoic acid IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]-13-methyltetradecanoic acid Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-benzyl)thio]-13-methyl-myristic acid Formula: C30H52O3S MolecularWeight: 492.79708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H52O3S/c1-22(2)17-15-13-11-9-10-12-14-16-18-26(28(32)33)34-21-23-19-24(29(3,4)5)27(31)25(20-23)30(6,7)8/h19-20,22,26,31H,9-18,21H2,1-8H3,(H,32,33)