[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-7-methyl-octyl] 2-sulfanylethanoate

Systemtic Name: [1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-7-methyl-octyl] 2-sulfanylethanoate Openeye Name: [1-(3,5-ditert-butyl-4-hydroxy-phenyl)-7-methyl-octyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [1-(3,5-ditert-butyl-4-hydroxyphenyl)-7-methyloctyl] ester IUPAC Name: [1-(3,5-ditert-butyl-4-hydroxyphenyl)-7-methyloctyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [1-(3,5-ditert-butyl-4-hydroxy-phenyl)-7-methyl-octyl] ester Formula: C25H42O3S MolecularWeight: 422.66418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OC(=O)CS

Isomeric SMILES

CC(C)CCCCCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OC(=O)CS

InChI

InChI=1S/C25H42O3S/c1-17(2)12-10-9-11-13-21(28-22(26)16-29)18-14-19(24(3,4)5)23(27)20(15-18)25(6,7)8/h14-15,17,21,27,29H,9-13,16H2,1-8H3