3-[4-oxidanylidene-3-(4-propylphenoxy)chromen-7-yl]oxypropanoate

Systemtic Name: 3-[4-oxidanylidene-3-(4-propylphenoxy)chromen-7-yl]oxypropanoate Openeye Name: 3-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxypropanoate CAS Name: 3-[[4-oxo-3-(4-propylphenoxy)-1-benzopyran-7-yl]oxy]propanoate IUPAC Name: 3-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxypropanoate Traditional Name: 3-[4-keto-3-(4-propylphenoxy)chromen-7-yl]oxypropionate Formula: C21H19O6- MolecularWeight: 367.37196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCCC(=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCCC(=O)[O-]

InChI

InChI=1S/C21H20O6/c1-2-3-14-4-6-15(7-5-14)27-19-13-26-18-12-16(25-11-10-20(22)23)8-9-17(18)21(19)24/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,23)/p-1