[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-ethyl-heptan-2-yl] 2-sulfanylethanoate

Systemtic Name: [1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-ethyl-heptan-2-yl] 2-sulfanylethanoate Openeye Name: [1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-2-ethyl-hexyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-ethylheptan-2-yl] ester IUPAC Name: [1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-ethylheptan-2-yl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [1-(3,5-ditert-butyl-4-hydroxy-benzyl)-2-ethyl-hexyl] ester Formula: C25H42O3S MolecularWeight: 422.66418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OC(=O)CS

Isomeric SMILES

CCCCC(CC)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OC(=O)CS

InChI

InChI=1S/C25H42O3S/c1-9-11-12-18(10-2)21(28-22(26)16-29)15-17-13-19(24(3,4)5)23(27)20(14-17)25(6,7)8/h13-14,18,21,27,29H,9-12,15-16H2,1-8H3