bis(2-hydroxyethyl)azanium; 8-[(E)-3-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: bis(2-hydroxyethyl)azanium; 8-[(E)-3-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: bis(2-hydroxyethyl)ammonium; 8-[(E)-3-(2-hydroxy-4-methoxy-phenyl)-3-oxo-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: bis(2-hydroxyethyl)ammonium; 8-[(E)-3-(2-hydroxy-4-methoxyphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: bis(2-hydroxyethyl)azanium; 8-[(E)-3-(2-hydroxy-4-methoxyphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: bis(2-hydroxyethyl)ammonium; 8-[(E)-3-(2-hydroxy-4-methoxy-phenyl)-3-keto-prop-1-enyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C23H27NO9 MolecularWeight: 461.46178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CC2=C3C(=CC(=C2)C(=O)[O-])COCO3)O.C(CO)[NH2+]CCO

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)/C=C/C2=C3C(=CC(=C2)C(=O)[O-])COCO3)O.C(CO)[NH2+]CCO

InChI

InChI=1S/C19H16O7.C4H11NO2/c1-24-14-3-4-15(17(21)8-14)16(20)5-2-11-6-12(19(22)23)7-13-9-25-10-26-18(11)13;6-3-1-5-2-4-7/h2-8,21H,9-10H2,1H3,(H,22,23);5-7H,1-4H2/b5-2+;