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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)CCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S

Isomeric SMILES

CCC(C)C(C)CCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S

InChI

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