4-ethoxycarbonylfuran-2-sulfonate; pyridin-1-ium

Systemtic Name: 4-ethoxycarbonylfuran-2-sulfonate; pyridin-1-ium Openeye Name: 4-ethoxycarbonylfuran-2-sulfonate; pyridin-1-ium CAS Name: 4-ethoxycarbonyl-2-furansulfonate; pyridin-1-ium IUPAC Name: 4-ethoxycarbonylfuran-2-sulfonate; pyridin-1-ium Traditional Name: 4-carbethoxyfuran-2-sulfonate; pyridin-1-ium Formula: C12H13NO6S MolecularWeight: 299.29972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=COC(=C1)S(=O)(=O)[O-].C1=CC=[NH+]C=C1

Isomeric SMILES

CCOC(=O)C1=COC(=C1)S(=O)(=O)[O-].C1=CC=[NH+]C=C1

InChI

InChI=1S/C7H8O6S.C5H5N/c1-2-12-7(8)5-3-6(13-4-5)14(9,10)11;1-2-4-6-5-3-1/h3-4H,2H2,1H3,(H,9,10,11);1-5H