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

Systemtic Name: [4-oxidanylidene-3-(2,3,5-trimethylphenoxy)chromen-7-yl] 4-(2-bromanyl-4-ethyl-phenoxy)butanoate Openeye Name: [4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl] 4-(2-bromo-4-ethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-ethylphenoxy)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-bromo-4-ethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-ethyl-phenoxy)butyric acid [4-keto-3-(2,3,5-trimethylphenoxy)chromen-7-yl] ester Formula: C30H29BrO6 MolecularWeight: 565.45166

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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(=C4C)C)C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=CC(=C4C)C)C)Br

InChI

InChI=1S/C30H29BrO6/c1-5-21-8-11-25(24(31)15-21)34-12-6-7-29(32)36-22-9-10-23-27(16-22)35-17-28(30(23)33)37-26-14-18(2)13-19(3)20(26)4/h8-11,13-17H,5-7,12H2,1-4H3