[5-[7-[2,3-bis(oxidanyl)propoxy]-5-oxidanyl-4-oxidanylidene-chromen-2-yl]-2-methoxy-phenyl] 2-methylpropanoate

Systemtic Name: [5-[7-[2,3-bis(oxidanyl)propoxy]-5-oxidanyl-4-oxidanylidene-chromen-2-yl]-2-methoxy-phenyl] 2-methylpropanoate Openeye Name: [5-[7-(2,3-dihydroxypropoxy)-5-hydroxy-4-oxo-chromen-2-yl]-2-methoxy-phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-[7-(2,3-dihydroxypropoxy)-5-hydroxy-4-oxo-1-benzopyran-2-yl]-2-methoxyphenyl] ester IUPAC Name: [5-[7-(2,3-dihydroxypropoxy)-5-hydroxy-4-oxochromen-2-yl]-2-methoxyphenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [5-(7-glyceryloxy-5-hydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl] ester Formula: C23H24O9 MolecularWeight: 444.43126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCC(CO)O)O)OC

Isomeric SMILES

CC(C)C(=O)OC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCC(CO)O)O)OC

InChI

InChI=1S/C23H24O9/c1-12(2)23(28)32-20-6-13(4-5-18(20)29-3)19-9-17(27)22-16(26)7-15(8-21(22)31-19)30-11-14(25)10-24/h4-9,12,14,24-26H,10-11H2,1-3H3