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

Systemtic Name: 2-[3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-1-(carboxymethylsulfanyl)-2,2-dimethyl-propyl]sulfanylethanoic acid Openeye Name: 2-[3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-1-(carboxymethylsulfanyl)-2,2-dimethyl-propyl]sulfanylacetic acid CAS Name: 2-[[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1-(carboxymethylthio)-2,2-dimethylpropyl]thio]acetic acid IUPAC Name: 2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1-(carboxymethylsulfanyl)-2,2-dimethylpropyl]sulfanylacetic acid Traditional Name: 2-[[3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-1-(carboxymethylthio)-2,2-dimethyl-propyl]thio]acetic acid Formula: C20H30O5S2 MolecularWeight: 414.5792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30O5S2/c1-12-7-13(8-14(17(12)25)19(2,3)4)9-20(5,6)18(26-10-15(21)22)27-11-16(23)24/h7-8,18,25H,9-11H2,1-6H3,(H,21,22)(H,23,24)