bis(2-hydroxyethyl)azanium; 8-(7-methoxy-4-oxidanylidene-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: bis(2-hydroxyethyl)azanium; 8-(7-methoxy-4-oxidanylidene-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylate Openeye Name: bis(2-hydroxyethyl)ammonium; 8-(7-methoxy-4-oxo-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylate CAS Name: bis(2-hydroxyethyl)ammonium; 8-(7-methoxy-4-oxo-1-benzopyran-2-yl)-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: bis(2-hydroxyethyl)azanium; 8-(7-methoxy-4-oxochromen-2-yl)-4H-1,3-benzodioxine-6-carboxylate Traditional Name: bis(2-hydroxyethyl)ammonium; 8-(4-keto-7-methoxy-chromen-2-yl)-4H-1,3-benzodioxin-6-carboxylate Formula: C23H25NO9 MolecularWeight: 459.4459

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=CC4=C3OCOC4)C(=O)[O-].C(CO)[NH2+]CCO

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=CC4=C3OCOC4)C(=O)[O-].C(CO)[NH2+]CCO

InChI

InChI=1S/C19H14O7.C4H11NO2/c1-23-12-2-3-13-15(20)7-17(26-16(13)6-12)14-5-10(19(21)22)4-11-8-24-9-25-18(11)14;6-3-1-5-2-4-7/h2-7H,8-9H2,1H3,(H,21,22);5-7H,1-4H2