4-cyclohexyloxycarbonyl-2-oxidanyl-benzenediazonium; 4-methylbenzenesulfonate

Systemtic Name: 4-cyclohexyloxycarbonyl-2-oxidanyl-benzenediazonium; 4-methylbenzenesulfonate Openeye Name: 4-(cyclohexoxycarbonyl)-2-hydroxy-benzenediazonium; 4-methylbenzenesulfonate CAS Name: 4-[cyclohexyloxy(oxo)methyl]-2-hydroxybenzenediazonium; 4-methylbenzenesulfonate IUPAC Name: 4-cyclohexyloxycarbonyl-2-hydroxybenzenediazonium; 4-methylbenzenesulfonate Traditional Name: 4-(cyclohexoxycarbonyl)-2-hydroxy-benzenediazonium tosylate Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(CC1)OC(=O)C2=CC(=C(C=C2)[N+]#N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(CC1)OC(=O)C2=CC(=C(C=C2)[N+]#N)O

InChI

InChI=1S/C13H14N2O3.C7H8O3S/c14-15-11-7-6-9(8-12(11)16)13(17)18-10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h6-8,10H,1-5H2;2-5H,1H3,(H,8,9,10)