3-[3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-1-(2-carboxyethylsulfanyl)-2,2-dimethyl-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-1-(2-carboxyethylsulfanyl)-2,2-dimethyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-1-(2-carboxyethylsulfanyl)-2,2-dimethyl-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1-(2-carboxyethylthio)-2,2-dimethylpropyl]thio]propanoic acid IUPAC Name: 3-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1-(2-carboxyethylsulfanyl)-2,2-dimethylpropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-1-(2-carboxyethylthio)-2,2-dimethyl-propyl]thio]propionic acid Formula: C22H34O5S2 MolecularWeight: 442.63236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O5S2/c1-14-11-15(12-16(19(14)27)21(2,3)4)13-22(5,6)20(28-9-7-17(23)24)29-10-8-18(25)26/h11-12,20,27H,7-10,13H2,1-6H3,(H,23,24)(H,25,26)