bis(2-hydroxyethyl)azanium; 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-6-propyl-chromen-7-yl]oxyethanoate

Systemtic Name: bis(2-hydroxyethyl)azanium; 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-6-propyl-chromen-7-yl]oxyethanoate Openeye Name: bis(2-hydroxyethyl)ammonium; 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propyl-chromen-7-yl]oxyacetate CAS Name: bis(2-hydroxyethyl)ammonium; 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propyl-1-benzopyran-7-yl]oxy]acetate IUPAC Name: bis(2-hydroxyethyl)azanium; 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propylchromen-7-yl]oxyacetate Traditional Name: bis(2-hydroxyethyl)ammonium; 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-methyl-6-propyl-chromen-7-yl]oxyacetate Formula: C27H33NO9 MolecularWeight: 515.55222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)OCC(=O)[O-].C(CO)[NH2+]CCO

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)OCC(=O)[O-].C(CO)[NH2+]CCO

InChI

InChI=1S/C23H22O7.C4H11NO2/c1-3-4-14-9-16-19(11-18(14)29-12-21(24)25)30-13(2)22(23(16)26)15-5-6-17-20(10-15)28-8-7-27-17;6-3-1-5-2-4-7/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,24,25);5-7H,1-4H2