2-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)amino]phenyl]ethanethioic S-acid

Systemtic Name: 2-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)amino]phenyl]ethanethioic S-acid Openeye Name: 2-[4-(3,5-ditert-butyl-4-hydroxy-anilino)phenyl]ethanethioic S-acid CAS Name: 2-[4-(3,5-ditert-butyl-4-hydroxyanilino)phenyl]ethanethioic S-acid IUPAC Name: 2-[4-(3,5-ditert-butyl-4-hydroxyanilino)phenyl]ethanethioic S-acid Traditional Name: 2-[4-(3,5-ditert-butyl-4-hydroxy-anilino)phenyl]thioacetic acid Formula: C22H29NO2S MolecularWeight: 371.53616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2S/c1-21(2,3)17-12-16(13-18(20(17)25)22(4,5)6)23-15-9-7-14(8-10-15)11-19(24)26/h7-10,12-13,23,25H,11H2,1-6H3,(H,24,26)