3-[2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]acetyl]amino]benzoic acid Formula: C26H35NO4S MolecularWeight: 457.6254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C26H35NO4S/c1-25(2,3)20-13-17(14-21(23(20)29)26(4,5)6)9-8-12-32-16-22(28)27-19-11-7-10-18(15-19)24(30)31/h7,10-11,13-15,29H,8-9,12,16H2,1-6H3,(H,27,28)(H,30,31)