6-[3-(4-cyanophenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 6-[3-(4-cyanophenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 6-[3-(4-cyanophenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid CAS Name: 6-[3-(4-cyanophenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 6-[3-(4-cyanophenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid Traditional Name: 6-[3-(4-cyanophenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylic acid Formula: C20H15NO7 MolecularWeight: 381.3356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCC(COC2=CC3=C(C=C2)OC(=CC3=O)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)OCC(COC2=CC3=C(C=C2)OC(=CC3=O)C(=O)O)O

InChI

InChI=1S/C20H15NO7/c21-9-12-1-3-14(4-2-12)26-10-13(22)11-27-15-5-6-18-16(7-15)17(23)8-19(28-18)20(24)25/h1-8,13,22H,10-11H2,(H,24,25)