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

Systemtic Name: 4-[4-oxidanylidene-3-(4-propylphenoxy)chromen-7-yl]oxybutanoate Openeye Name: 4-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxybutanoate CAS Name: 4-[[4-oxo-3-(4-propylphenoxy)-1-benzopyran-7-yl]oxy]butanoate IUPAC Name: 4-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxybutanoate Traditional Name: 4-[4-keto-3-(4-propylphenoxy)chromen-7-yl]oxybutyrate Formula: C22H21O6- MolecularWeight: 381.39854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O6/c1-2-4-15-6-8-16(9-7-15)28-20-14-27-19-13-17(10-11-18(19)22(20)25)26-12-3-5-21(23)24/h6-11,13-14H,2-5,12H2,1H3,(H,23,24)/p-1