ethyl 5-[4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethyl]phenoxy]-2,2-dimethyl-pentanoate

Systemtic Name: ethyl 5-[4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethyl]phenoxy]-2,2-dimethyl-pentanoate Openeye Name: ethyl 5-[4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylethyl]phenoxy]-2,2-dimethyl-pentanoate CAS Name: 5-[4-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]ethyl]phenoxy]-2,2-dimethylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylethyl]phenoxy]-2,2-dimethylpentanoate Traditional Name: 5-[4-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]ethyl]phenoxy]-2,2-dimethyl-valeric acid ethyl ester Formula: C31H46O4S MolecularWeight: 514.75954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCOC1=CC=C(C=C1)CCSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)(C)CCCOC1=CC=C(C=C1)CCSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C31H46O4S/c1-10-34-28(33)31(8,9)17-11-18-35-23-14-12-22(13-15-23)16-19-36-24-20-25(29(2,3)4)27(32)26(21-24)30(5,6)7/h12-15,20-21,32H,10-11,16-19H2,1-9H3