2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate; 2,4,6-triethoxybenzenediazonium

Systemtic Name: 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate; 2,4,6-triethoxybenzenediazonium Openeye Name: 5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonate; 2,4,6-triethoxybenzenediazonium CAS Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate; 2,4,6-triethoxybenzenediazonium IUPAC Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate; 2,4,6-triethoxybenzenediazonium Traditional Name: 5-benzoyl-4-hydroxy-2-methoxy-besylate; 2,4,6-triethoxybenzenediazonium Formula: C26H28N2O9S MolecularWeight: 544.57352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)OCC)[N+]#N)OCC.COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C(=C1)OCC)[N+]#N)OCC.COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C14H12O6S.C12H17N2O3/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9;1-4-15-9-7-10(16-5-2)12(14-13)11(8-9)17-6-3/h2-8,15H,1H3,(H,17,18,19);7-8H,4-6H2,1-3H3/q;+1/p-1