3,5-ditert-butyl-2-[(3-methylpyridin-2-yl)methyl]-4-oxidanyl-benzenecarbothioic S-acid

Systemtic Name: 3,5-ditert-butyl-2-[(3-methylpyridin-2-yl)methyl]-4-oxidanyl-benzenecarbothioic S-acid Openeye Name: 3,5-ditert-butyl-4-hydroxy-2-[(3-methyl-2-pyridyl)methyl]benzenecarbothioic S-acid CAS Name: 3,5-ditert-butyl-4-hydroxy-2-[(3-methyl-2-pyridinyl)methyl]benzenecarbothioic S-acid IUPAC Name: 3,5-ditert-butyl-4-hydroxy-2-[(3-methylpyridin-2-yl)methyl]benzenecarbothioic S-acid Traditional Name: 3,5-ditert-butyl-4-hydroxy-2-[(3-methyl-2-pyridyl)methyl]thiobenzoic acid Formula: C22H29NO2S MolecularWeight: 371.53616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CC2=C(C(=C(C=C2C(=O)S)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=C(N=CC=C1)CC2=C(C(=C(C=C2C(=O)S)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C22H29NO2S/c1-13-9-8-10-23-17(13)12-14-15(20(25)26)11-16(21(2,3)4)19(24)18(14)22(5,6)7/h8-11,24H,12H2,1-7H3,(H,25,26)