4-methylbenzenesulfonate; 4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanyl-benzenediazonium

Systemtic Name: 4-methylbenzenesulfonate; 4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanyl-benzenediazonium Openeye Name: 4-tert-butoxycarbonyl-2-hydroxy-benzenediazonium; 4-methylbenzenesulfonate CAS Name: 2-hydroxy-4-[(2-methylpropan-2-yl)oxy-oxomethyl]benzenediazonium; 4-methylbenzenesulfonate IUPAC Name: 2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]benzenediazonium; 4-methylbenzenesulfonate Traditional Name: 4-tert-butoxycarbonyl-2-hydroxy-benzenediazonium tosylate Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+]#N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+]#N)O

InChI

InChI=1S/C11H12N2O3.C7H8O3S/c1-11(2,3)16-10(15)7-4-5-8(13-12)9(14)6-7;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,1-3H3;2-5H,1H3,(H,8,9,10)