[3-(2,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-(4-chloranylphenoxy)butanoate

Systemtic Name: [3-(2,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-(4-chloranylphenoxy)butanoate Openeye Name: [3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 4-(4-chlorophenoxy)butanoate CAS Name: 4-(4-chlorophenoxy)butanoic acid [3-(2,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl] 4-(4-chlorophenoxy)butanoate Traditional Name: 4-(4-chlorophenoxy)butyric acid [3-(2,5-dimethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C27H23ClO6 MolecularWeight: 478.92092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H23ClO6/c1-17-5-6-18(2)23(14-17)34-25-16-32-24-15-21(11-12-22(24)27(25)30)33-26(29)4-3-13-31-20-9-7-19(28)8-10-20/h5-12,14-16H,3-4,13H2,1-2H3