5-[3-(4-ethoxyphenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 5-[3-(4-ethoxyphenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 5-[3-(4-ethoxyphenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid CAS Name: 5-[3-(4-ethoxyphenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 5-[3-(4-ethoxyphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid Traditional Name: 5-[3-(4-ethoxyphenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylic acid Formula: C21H20O8 MolecularWeight: 400.3787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)O)O

InChI

InChI=1S/C21H20O8/c1-2-26-14-6-8-15(9-7-14)27-11-13(22)12-28-17-4-3-5-18-20(17)16(23)10-19(29-18)21(24)25/h3-10,13,22H,2,11-12H2,1H3,(H,24,25)