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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H52O3S/c1-8-9-10-11-12-13-14-15-16-17-18-19-26(28(32)33)34-22-23-20-24(29(2,3)4)27(31)25(21-23)30(5,6)7/h20-21,26,31H,8-19,22H2,1-7H3,(H,32,33)