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

Systemtic Name: 2-[1-(carboxymethylsulfanyl)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2,2-dimethyl-propyl]sulfanylethanoic acid Openeye Name: 2-[1-(carboxymethylsulfanyl)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2,2-dimethyl-propyl]sulfanylacetic acid CAS Name: 2-[[1-(carboxymethylthio)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl]thio]acetic acid IUPAC Name: 2-[1-(carboxymethylsulfanyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl]sulfanylacetic acid Traditional Name: 2-[[1-(carboxymethylthio)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2,2-dimethyl-propyl]thio]acetic acid Formula: C23H36O5S2 MolecularWeight: 456.65894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36O5S2/c1-21(2,3)15-9-14(10-16(19(15)28)22(4,5)6)11-23(7,8)20(29-12-17(24)25)30-13-18(26)27/h9-10,20,28H,11-13H2,1-8H3,(H,24,25)(H,26,27)