2-[4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropoxy]phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropoxy]phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylpropoxy]phenyl]-2-oxo-acetic acid CAS Name: 2-[4-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]propoxy]phenyl]-2-oxoacetic acid IUPAC Name: 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropoxy]phenyl]-2-oxoacetic acid Traditional Name: 2-[4-[3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]propoxy]phenyl]-2-keto-acetic acid Formula: C25H32O5S MolecularWeight: 444.58358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCOC2=CC=C(C=C2)C(=O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCOC2=CC=C(C=C2)C(=O)C(=O)O

InChI

InChI=1S/C25H32O5S/c1-24(2,3)19-14-18(15-20(22(19)27)25(4,5)6)31-13-7-12-30-17-10-8-16(9-11-17)21(26)23(28)29/h8-11,14-15,27H,7,12-13H2,1-6H3,(H,28,29)