2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylideneazaniumyl]ethyl sulfate

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylideneazaniumyl]ethyl sulfate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyleneammonio]ethyl sulfate CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylideneammonio]ethyl sulfate IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylideneazaniumyl]ethyl sulfate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyleneammonio]ethyl sulfate Formula: C11H12ClNO6S MolecularWeight: 321.73408

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)Cl)C=[NH+]CCOS(=O)(=O)[O-])OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)Cl)C=[NH+]CCOS(=O)(=O)[O-])OCO1

InChI

InChI=1S/C11H12ClNO6S/c12-10-3-8(5-13-1-2-19-20(14,15)16)11-9(4-10)6-17-7-18-11/h3-5H,1-2,6-7H2,(H,14,15,16)