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

Systemtic Name: [4-oxidanylidene-3-(2,3,5-trimethylphenoxy)chromen-7-yl] 4-(2-chloranylphenoxy)butanoate Openeye Name: [4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl] 4-(2-chlorophenoxy)butanoate CAS Name: 4-(2-chlorophenoxy)butanoic acid [4-oxo-3-(2,3,5-trimethylphenoxy)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl] 4-(2-chlorophenoxy)butanoate Traditional Name: 4-(2-chlorophenoxy)butyric acid [4-keto-3-(2,3,5-trimethylphenoxy)chromen-7-yl] ester Formula: C28H25ClO6 MolecularWeight: 492.9475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=CC=CC=C4Cl)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=CC=CC=C4Cl)C)C

InChI

InChI=1S/C28H25ClO6/c1-17-13-18(2)19(3)24(14-17)35-26-16-33-25-15-20(10-11-21(25)28(26)31)34-27(30)9-6-12-32-23-8-5-4-7-22(23)29/h4-5,7-8,10-11,13-16H,6,9,12H2,1-3H3