2-[2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-methyl-phenoxy]ethyl 3-sulfanylpropanoate

Systemtic Name: 2-[2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-methyl-phenoxy]ethyl 3-sulfanylpropanoate Openeye Name: 2-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-4-methyl-phenoxy]ethyl 3-sulfanylpropanoate CAS Name: 3-mercaptopropanoic acid 2-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenoxy]ethyl ester IUPAC Name: 2-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenoxy]ethyl 3-sulfanylpropanoate Traditional Name: 3-mercaptopropionic acid 2-[2-(3,5-ditert-butyl-4-hydroxy-benzyl)-4-methyl-phenoxy]ethyl ester Formula: C27H38O4S MolecularWeight: 458.65322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCOC(=O)CCS)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCOC(=O)CCS)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C27H38O4S/c1-18-8-9-23(30-11-12-31-24(28)10-13-32)20(14-18)15-19-16-21(26(2,3)4)25(29)22(17-19)27(5,6)7/h8-9,14,16-17,29,32H,10-13,15H2,1-7H3