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

Systemtic Name: [3-(3-methylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-(2-bromanyl-4-ethyl-phenoxy)butanoate Openeye Name: [3-(3-methylphenoxy)-4-oxo-chromen-7-yl] 4-(2-bromo-4-ethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-ethylphenoxy)butanoic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methylphenoxy)-4-oxochromen-7-yl] 4-(2-bromo-4-ethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-ethyl-phenoxy)butyric acid [4-keto-3-(3-methylphenoxy)chromen-7-yl] ester Formula: C28H25BrO6 MolecularWeight: 537.3985

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C28H25BrO6/c1-3-19-9-12-24(23(29)15-19)32-13-5-8-27(30)35-21-10-11-22-25(16-21)33-17-26(28(22)31)34-20-7-4-6-18(2)14-20/h4,6-7,9-12,14-17H,3,5,8,13H2,1-2H3