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

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]oxyethanoic acid Openeye Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-chromen-7-yl]oxyacetic acid CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-1-benzopyran-7-yl]oxy]acetic acid IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]oxyacetic acid Traditional Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-6-propyl-chromen-7-yl]oxyacetic acid Formula: C22H20O7 MolecularWeight: 396.39

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OCC(=O)O

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OCC(=O)O

InChI

InChI=1S/C22H20O7/c1-2-3-14-8-15-19(10-18(14)29-12-21(23)24)28-11-16(22(15)25)13-4-5-17-20(9-13)27-7-6-26-17/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,23,24)