methyl 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylbutan-2-ylsulfanyl]ethanoate

Systemtic Name: methyl 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylbutan-2-ylsulfanyl]ethanoate Openeye Name: methyl 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-propyl]sulfanylacetate CAS Name: 2-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]butan-2-ylthio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutan-2-ylsulfanyl]acetate Traditional Name: 2-[[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-methyl-propyl]thio]acetic acid methyl ester Formula: C21H34O3S2 MolecularWeight: 398.62286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)SCC(=O)OC

Isomeric SMILES

CC(C(C)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)SCC(=O)OC

InChI

InChI=1S/C21H34O3S2/c1-13(25-12-18(22)24-9)14(2)26-15-10-16(20(3,4)5)19(23)17(11-15)21(6,7)8/h10-11,13-14,23H,12H2,1-9H3