2-ethylhexyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-sulfanyl-propanoate

Systemtic Name: 2-ethylhexyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-sulfanyl-propanoate Openeye Name: 2-ethylhexyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-sulfanyl-propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-mercaptopropanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-sulfanylpropanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-mercapto-propionic acid 2-ethylhexyl ester Formula: C25H42O3S MolecularWeight: 422.66418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S

Isomeric SMILES

CCCCC(CC)COC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S

InChI

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