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

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-(2-bromanyl-4-ethyl-phenoxy)butanoate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 4-(2-bromo-4-ethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-ethylphenoxy)butanoic acid [3-(3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl] 4-(2-bromo-4-ethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-ethyl-phenoxy)butyric acid [3-(3,5-dimethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C29H27BrO6 MolecularWeight: 551.42508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=CC(=C4)C)C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=CC(=C4)C)C)Br

InChI

InChI=1S/C29H27BrO6/c1-4-20-7-10-25(24(30)15-20)33-11-5-6-28(31)36-21-8-9-23-26(16-21)34-17-27(29(23)32)35-22-13-18(2)12-19(3)14-22/h7-10,12-17H,4-6,11H2,1-3H3