3-[3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propylsulfanyl]propanoic acid

Systemtic Name: 3-[3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propylsulfanyl]propanoic acid Openeye Name: 3-[3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propylsulfanyl]propanoic acid CAS Name: 3-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propylthio]propanoic acid IUPAC Name: 3-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propylsulfanyl]propanoic acid Traditional Name: 3-[3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propylthio]propionic acid Formula: C17H26O3S MolecularWeight: 310.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CCCSCCC(=O)O)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CCCSCCC(=O)O)C(C)(C)C)O

InChI

InChI=1S/C17H26O3S/c1-12-10-13(6-5-8-21-9-7-15(18)19)11-14(16(12)20)17(2,3)4/h10-11,20H,5-9H2,1-4H3,(H,18,19)