(11E)-11-(3-methylsulfonyloxypropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: (11E)-11-(3-methylsulfonyloxypropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: (11E)-11-(3-methylsulfonyloxypropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-(3-methylsulfonyloxypropylidene)-6H-benzo[c][1]benzoxepin-2-carboxylate IUPAC Name: (11E)-11-(3-methylsulfonyloxypropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-(3-methylsulfonyloxypropylidene)-6H-benzo[c][1]benzoxepin-2-carboxylate Formula: C19H17O6S- MolecularWeight: 373.39968

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCC/C=C/1\C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H18O6S/c1-26(22,23)25-10-4-7-16-15-6-3-2-5-14(15)12-24-18-9-8-13(19(20)21)11-17(16)18/h2-3,5-9,11H,4,10,12H2,1H3,(H,20,21)/p-1/b16-7+