7-[3-(4-ethanoyl-3-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 7-[3-(4-ethanoyl-3-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid CAS Name: 7-[3-(4-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(4-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid Traditional Name: 7-[3-(4-acetyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylic acid Formula: C21H18O9 MolecularWeight: 414.36222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC(COC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)O)O)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC(COC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)O)O)O

InChI

InChI=1S/C21H18O9/c1-11(22)15-4-2-13(6-17(15)24)28-9-12(23)10-29-14-3-5-16-18(25)8-20(21(26)27)30-19(16)7-14/h2-8,12,23-24H,9-10H2,1H3,(H,26,27)