methyl 7-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-3,5-bis(oxidanyl)heptanoate

Systemtic Name: methyl 7-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-3,5-bis(oxidanyl)heptanoate Openeye Name: methyl 7-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-3,5-dihydroxy-heptanoate CAS Name: 7-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-3,5-dihydroxyheptanoic acid methyl ester IUPAC Name: methyl 7-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-3,5-dihydroxyheptanoate Traditional Name: 7-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-3,5-dihydroxy-enanthic acid methyl ester Formula: C22H36O5S MolecularWeight: 412.58324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(CC(CC(=O)OC)O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(CC(CC(=O)OC)O)O

InChI

InChI=1S/C22H36O5S/c1-21(2,3)17-12-16(13-18(20(17)26)22(4,5)6)28-9-8-14(23)10-15(24)11-19(25)27-7/h12-15,23-24,26H,8-11H2,1-7H3