S-(1-oxidanidylpyridin-1-ium-2-yl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-(1-oxidanidylpyridin-1-ium-2-yl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-(1-oxidopyridin-1-ium-2-yl) 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-(1-oxido-2-pyridin-1-iumyl) ester IUPAC Name: S-(1-oxidopyridin-1-ium-2-yl) 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-(1-oxidopyridin-1-ium-2-yl) ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C20H25NO3S/c1-19(2,3)14-11-13(12-15(17(14)22)20(4,5)6)18(23)25-16-9-7-8-10-21(16)24/h7-12,22H,1-6H3