3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[2-(2-hydroxyethyloxy)ethylsulfanyl]propanoic acid

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[2-(2-hydroxyethyloxy)ethylsulfanyl]propanoic acid Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-(2-hydroxyethoxy)ethylthio]propanoic acid IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[2-(2-hydroxyethoxy)ethylthio]propionic acid Formula: C21H34O5S MolecularWeight: 398.55666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O5S/c1-20(2,3)15-11-14(12-16(18(15)23)21(4,5)6)13-17(19(24)25)27-10-9-26-8-7-22/h11-12,17,22-23H,7-10,13H2,1-6H3,(H,24,25)