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

Systemtic Name: 2,2-dimethylpropyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-sulfanyl-propanoate Openeye Name: 2,2-dimethylpropyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-sulfanyl-propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-mercaptopropanoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-sulfanylpropanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-mercapto-propionic acid neopentyl ester Formula: C22H36O3S MolecularWeight: 380.58444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36O3S/c1-20(2,3)13-25-18(23)12-17(26)14-10-15(21(4,5)6)19(24)16(11-14)22(7,8)9/h10-11,17,24,26H,12-13H2,1-9H3