3-[5-[3-(3,5-ditert-butyl-2-oxidanyl-phenyl)propoxy]-5-oxidanylidene-pentyl]sulfanylpropanoic acid

Systemtic Name: 3-[5-[3-(3,5-ditert-butyl-2-oxidanyl-phenyl)propoxy]-5-oxidanylidene-pentyl]sulfanylpropanoic acid Openeye Name: 3-[5-[3-(3,5-ditert-butyl-2-hydroxy-phenyl)propoxy]-5-oxo-pentyl]sulfanylpropanoic acid CAS Name: 3-[[5-[3-(3,5-ditert-butyl-2-hydroxyphenyl)propoxy]-5-oxopentyl]thio]propanoic acid IUPAC Name: 3-[5-[3-(3,5-ditert-butyl-2-hydroxyphenyl)propoxy]-5-oxopentyl]sulfanylpropanoic acid Traditional Name: 3-[[5-[3-(3,5-ditert-butyl-2-hydroxy-phenyl)propoxy]-5-keto-pentyl]thio]propionic acid Formula: C25H40O5S MolecularWeight: 452.6471

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CCCOC(=O)CCCCSCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CCCOC(=O)CCCCSCCC(=O)O

InChI

InChI=1S/C25H40O5S/c1-24(2,3)19-16-18(23(29)20(17-19)25(4,5)6)10-9-13-30-22(28)11-7-8-14-31-15-12-21(26)27/h16-17,29H,7-15H2,1-6H3,(H,26,27)