5-tert-butyl-2-methyl-6-oxidanyl-3-(pyridin-3-ylmethylsulfanyl)benzoic acid

Systemtic Name: 5-tert-butyl-2-methyl-6-oxidanyl-3-(pyridin-3-ylmethylsulfanyl)benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(3-pyridylmethylsulfanyl)benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(3-pyridinylmethylthio)benzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(pyridin-3-ylmethylsulfanyl)benzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(3-pyridylmethylthio)benzoic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SCC2=CN=CC=C2

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SCC2=CN=CC=C2

InChI

InChI=1S/C18H21NO3S/c1-11-14(23-10-12-6-5-7-19-9-12)8-13(18(2,3)4)16(20)15(11)17(21)22/h5-9,20H,10H2,1-4H3,(H,21,22)