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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl]oxyacetic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]acetic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxyacetic acid Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-6-ethyl-4-keto-2-methyl-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(=C(O2)C)C3=CC4=C(C=C3)OCO4)OCC(=O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCO4)OCC(=O)O

InChI

InChI=1S/C21H18O7/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)