4-methylbenzenesulfonate; 4-octoxycarbonyl-2-oxidanyl-benzenediazonium

Systemtic Name: 4-methylbenzenesulfonate; 4-octoxycarbonyl-2-oxidanyl-benzenediazonium Openeye Name: 2-hydroxy-4-octoxycarbonyl-benzenediazonium; 4-methylbenzenesulfonate CAS Name: 2-hydroxy-4-[octoxy(oxo)methyl]benzenediazonium; 4-methylbenzenesulfonate IUPAC Name: 2-hydroxy-4-octoxycarbonylbenzenediazonium; 4-methylbenzenesulfonate Traditional Name: 2-hydroxy-4-octoxycarbonyl-benzenediazonium tosylate Formula: C22H28N2O6S MolecularWeight: 448.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3.C7H8O3S/c1-2-3-4-5-6-7-10-20-15(19)12-8-9-13(17-16)14(18)11-12;1-6-2-4-7(5-3-6)11(8,9)10/h8-9,11H,2-7,10H2,1H3;2-5H,1H3,(H,8,9,10)