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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]oxyethanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-chromen-7-yl]oxyacetic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-1-benzopyran-7-yl]oxy]acetic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propylchromen-7-yl]oxyacetic acid Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-4-keto-6-propyl-chromen-7-yl]oxyacetic acid Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OCC(=O)O

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OCC(=O)O

InChI

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