2,5-dimethoxy-4-morpholin-4-yl-benzenediazonium; 2-sulfonatooxybenzoate

Systemtic Name: 2,5-dimethoxy-4-morpholin-4-yl-benzenediazonium; 2-sulfonatooxybenzoate Openeye Name: 2,5-dimethoxy-4-morpholino-benzenediazonium; 2-sulfonatooxybenzoate CAS Name: 2,5-dimethoxy-4-(4-morpholinyl)benzenediazonium; 2-sulfonatooxybenzoate IUPAC Name: 2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium; 2-sulfonatooxybenzoate Traditional Name: 2,5-dimethoxy-4-morpholino-benzenediazonium; 2-sulfatobenzoate Formula: C31H36N6O12S MolecularWeight: 716.71554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1[N+]#N)OC)N2CCOCC2.COC1=CC(=C(C=C1[N+]#N)OC)N2CCOCC2.C1=CC=C(C(=C1)C(=O)[O-])OS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1[N+]#N)OC)N2CCOCC2.COC1=CC(=C(C=C1[N+]#N)OC)N2CCOCC2.C1=CC=C(C(=C1)C(=O)[O-])OS(=O)(=O)[O-]

InChI

InChI=1S/2C12H16N3O3.C7H6O6S/c2*1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h2*7-8H,3-6H2,1-2H3;1-4H,(H,8,9)(H,10,11,12)/q2*+1;/p-2