2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-2-methylsulfanyl-pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-2-methylsulfanyl-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-2-methylsulfanyl-pyrrol-1-yl]acetic acid CAS Name: 2-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-2-(methylthio)-1-pyrrolyl]acetic acid IUPAC Name: 2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)-2-methylsulfanylpyrrol-1-yl]acetic acid Traditional Name: 2-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-2-(methylthio)pyrrol-1-yl]acetic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CN(C(=C2)SC)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CN(C(=C2)SC)CC(=O)O

InChI

InChI=1S/C22H29NO4S/c1-21(2,3)15-8-13(9-16(20(15)27)22(4,5)6)19(26)14-10-17(28-7)23(11-14)12-18(24)25/h8-11,27H,12H2,1-7H3,(H,24,25)