2,6-ditert-butyl-3-[(3-methylpyridin-2-yl)methyl]-4-sulfanylcarbonyl-phenolate

Systemtic Name: 2,6-ditert-butyl-3-[(3-methylpyridin-2-yl)methyl]-4-sulfanylcarbonyl-phenolate Openeye Name: 2,6-ditert-butyl-3-[(3-methyl-2-pyridyl)methyl]-4-sulfanylcarbonyl-phenolate CAS Name: 2,6-ditert-butyl-4-[mercapto(oxo)methyl]-3-[(3-methyl-2-pyridinyl)methyl]phenolate IUPAC Name: 2,6-ditert-butyl-3-[(3-methylpyridin-2-yl)methyl]-4-sulfanylcarbonylphenolate Traditional Name: 2,6-ditert-butyl-3-[(3-methyl-2-pyridyl)methyl]-4-thiocarboxy-phenolate Formula: C22H28NO2S- MolecularWeight: 370.52822

Click to see the large picture

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)/p-1