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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S

Isomeric SMILES

CCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S

InChI

InChI=1S/C25H42O3S/c1-8-9-10-11-12-13-14-28-23(27)21(29)17-18-15-19(24(2,3)4)22(26)20(16-18)25(5,6)7/h15-16,21,26,29H,8-14,17H2,1-7H3