sulfanyl 5,7-ditert-butyl-2-[(4-hydroxyphenyl)methyl]decanoate

Systemtic Name: sulfanyl 5,7-ditert-butyl-2-[(4-hydroxyphenyl)methyl]decanoate Openeye Name: sulfanyl 5,7-ditert-butyl-2-[(4-hydroxyphenyl)methyl]decanoate CAS Name: 5,7-ditert-butyl-2-[(4-hydroxyphenyl)methyl]decanoic acid mercapto ester IUPAC Name: sulfanyl 5,7-ditert-butyl-2-[(4-hydroxyphenyl)methyl]decanoate Traditional Name: 5,7-ditert-butyl-2-(4-hydroxybenzyl)capric acid mercapto ester Formula: C25H42O3S MolecularWeight: 422.66418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(CCC(CC1=CC=C(C=C1)O)C(=O)OS)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCC(CC(CCC(CC1=CC=C(C=C1)O)C(=O)OS)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C25H42O3S/c1-8-9-20(24(2,3)4)17-21(25(5,6)7)13-12-19(23(27)28-29)16-18-10-14-22(26)15-11-18/h10-11,14-15,19-21,26,29H,8-9,12-13,16-17H2,1-7H3