sodium 2-[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoate

Systemtic Name: sodium 2-[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoate Openeye Name: sodium 2-[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl]oxyacetate CAS Name: sodium 2-[[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]acetate IUPAC Name: sodium 2-[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxyacetate Traditional Name: sodium 2-[3-(1,3-benzodioxol-5-yl)-6-ethyl-4-keto-2-methyl-chromen-7-yl]oxyacetate Formula: C21H17NaO7 MolecularWeight: 404.34525

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCO4)OCC(=O)[O-].[Na+]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCO4)OCC(=O)[O-].[Na+]

InChI

InChI=1S/C21H18O7.Na/c1-3-12-6-14-17(8-16(12)25-9-19(22)23)28-11(2)20(21(14)24)13-4-5-15-18(7-13)27-10-26-15;/h4-8H,3,9-10H2,1-2H3,(H,22,23);/q;+1/p-1