2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl]oxyethanoic acid

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl]oxyethanoic acid Openeye Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxo-chromen-7-yl]oxyacetic acid CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxo-1-benzopyran-7-yl]oxy]acetic acid IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetic acid Traditional Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-keto-chromen-7-yl]oxyacetic acid Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OCC(=O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OCC(=O)O

InChI

InChI=1S/C21H18O7/c1-2-12-7-14-18(9-17(12)28-11-20(22)23)27-10-15(21(14)24)13-3-4-16-19(8-13)26-6-5-25-16/h3-4,7-10H,2,5-6,11H2,1H3,(H,22,23)