2-[2-(4-methoxy-3-propoxy-phenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxyethanoic acid

Systemtic Name: 2-[2-(4-methoxy-3-propoxy-phenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxyethanoic acid Openeye Name: 2-[5-hydroxy-2-(4-methoxy-3-propoxy-phenyl)-4-oxo-chromen-7-yl]oxyacetic acid CAS Name: 2-[[5-hydroxy-2-(4-methoxy-3-propoxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]acetic acid IUPAC Name: 2-[5-hydroxy-2-(4-methoxy-3-propoxyphenyl)-4-oxochromen-7-yl]oxyacetic acid Traditional Name: 2-[5-hydroxy-4-keto-2-(4-methoxy-3-propoxy-phenyl)chromen-7-yl]oxyacetic acid Formula: C21H20O8 MolecularWeight: 400.3787

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)O)O)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)O)O)OC

InChI

InChI=1S/C21H20O8/c1-3-6-27-18-7-12(4-5-16(18)26-2)17-10-15(23)21-14(22)8-13(9-19(21)29-17)28-11-20(24)25/h4-5,7-10,22H,3,6,11H2,1-2H3,(H,24,25)