[3-(1,3,4-oxadiazol-2-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: [3-(1,3,4-oxadiazol-2-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: [3-(1,3,4-oxadiazol-2-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid [3-(1,3,4-oxadiazol-2-yl)phenyl] ester IUPAC Name: [3-(1,3,4-oxadiazol-2-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid [3-(1,3,4-oxadiazol-2-yl)phenyl] ester Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)C4=NN=CO4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)C4=NN=CO4)OC1

InChI

InChI=1S/C17H14N2O6S/c20-26(21,14-5-6-15-16(10-14)23-8-2-7-22-15)25-13-4-1-3-12(9-13)17-19-18-11-24-17/h1,3-6,9-11H,2,7-8H2