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

Systemtic Name: 2-[2-(5-methoxy-3-oxidanyl-2-prop-2-enyl-phenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxyethanoic acid Openeye Name: 2-[2-(2-allyl-3-hydroxy-5-methoxy-phenyl)-5-hydroxy-4-oxo-chromen-7-yl]oxyacetic acid CAS Name: 2-[[5-hydroxy-2-(3-hydroxy-5-methoxy-2-prop-2-enylphenyl)-4-oxo-1-benzopyran-7-yl]oxy]acetic acid IUPAC Name: 2-[5-hydroxy-2-(3-hydroxy-5-methoxy-2-prop-2-enylphenyl)-4-oxochromen-7-yl]oxyacetic acid Traditional Name: 2-[2-(2-allyl-3-hydroxy-5-methoxy-phenyl)-5-hydroxy-4-keto-chromen-7-yl]oxyacetic acid Formula: C21H18O8 MolecularWeight: 398.36282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)O)O)CC=C)O

Isomeric SMILES

COC1=CC(=C(C(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)O)O)CC=C)O

InChI

InChI=1S/C21H18O8/c1-3-4-13-14(5-11(27-2)6-15(13)22)18-9-17(24)21-16(23)7-12(8-19(21)29-18)28-10-20(25)26/h3,5-9,22-23H,1,4,10H2,2H3,(H,25,26)