2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]ethanoic acid

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]ethanoic acid Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]acetic acid CAS Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]acetic acid IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]acetic acid Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]acetic acid Formula: C19H30O3S MolecularWeight: 338.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)O

InChI

InChI=1S/C19H30O3S/c1-18(2,3)14-10-13(8-7-9-23-12-16(20)21)11-15(17(14)22)19(4,5)6/h10-11,22H,7-9,12H2,1-6H3,(H,20,21)