4-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-2-oxidanyl-benzoic acid

Systemtic Name: 4-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-2-oxidanyl-benzoic acid Openeye Name: 4-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-2-hydroxy-benzoic acid CAS Name: 4-(2,6-ditert-butyl-4-methyl-1-pyridin-1-iumyl)-2-hydroxybenzoic acid IUPAC Name: 4-(2,6-ditert-butyl-4-methylpyridin-1-ium-1-yl)-2-hydroxybenzoic acid Traditional Name: 4-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-2-hydroxy-benzoic acid Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C(C)(C)C)C2=CC(=C(C=C2)C(=O)O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C(C)(C)C)C2=CC(=C(C=C2)C(=O)O)O)C(C)(C)C

InChI

InChI=1S/C21H27NO3/c1-13-10-17(20(2,3)4)22(18(11-13)21(5,6)7)14-8-9-15(19(24)25)16(23)12-14/h8-12H,1-7H3,(H-,23,24,25)/p+1