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

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

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCO4)OCC(=O)O

InChI

InChI=1S/C22H20O7/c1-3-4-13-7-15-18(9-17(13)26-10-20(23)24)29-12(2)21(22(15)25)14-5-6-16-19(8-14)28-11-27-16/h5-9H,3-4,10-11H2,1-2H3,(H,23,24)