5-[3-(4-carboxy-3-methoxy-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 5-[3-(4-carboxy-3-methoxy-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 5-[3-(4-carboxy-3-methoxy-phenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid CAS Name: 5-[3-(4-carboxy-3-methoxyphenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 5-[3-(4-carboxy-3-methoxyphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid Traditional Name: 5-[3-(4-carboxy-3-methoxy-phenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylic acid Formula: C21H18O10 MolecularWeight: 430.36162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)O)O)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)O)O)C(=O)O

InChI

InChI=1S/C21H18O10/c1-28-17-7-12(5-6-13(17)20(24)25)29-9-11(22)10-30-15-3-2-4-16-19(15)14(23)8-18(31-16)21(26)27/h2-8,11,22H,9-10H2,1H3,(H,24,25)(H,26,27)