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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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