quinolin-8-yl 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: quinolin-8-yl 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: 8-quinolyl 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid 8-quinolyl ester Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC4=C3N=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC4=C3N=CC=C4)OC1

InChI

InChI=1S/C18H15NO5S/c20-25(21,14-7-8-15-17(12-14)23-11-3-10-22-15)24-16-6-1-4-13-5-2-9-19-18(13)16/h1-2,4-9,12H,3,10-11H2