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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)O)O

InChI

InChI=1S/C21H20O8/c1-3-4-13-12(5-6-16(27-2)21(13)26)17-9-15(23)20-14(22)7-11(8-18(20)29-17)28-10-19(24)25/h5-9,22,26H,3-4,10H2,1-2H3,(H,24,25)