[6-[2-bromanyl-1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl benzoate

Systemtic Name: [6-[2-bromanyl-1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl benzoate Openeye Name: [6-[2-bromo-1-(2,4-dichlorophenyl)ethoxy]tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [6-[2-bromo-1-(2,4-dichlorophenyl)ethoxy]-2-oxanyl]methyl ester IUPAC Name: [6-[2-bromo-1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl benzoate Traditional Name: benzoic acid [6-[2-bromo-1-(2,4-dichlorophenyl)ethoxy]tetrahydropyran-2-yl]methyl ester Formula: C21H21BrCl2O4 MolecularWeight: 488.19904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC(C1)OC(CBr)C2=C(C=C(C=C2)Cl)Cl)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC(OC(C1)OC(CBr)C2=C(C=C(C=C2)Cl)Cl)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrCl2O4/c22-12-19(17-10-9-15(23)11-18(17)24)28-20-8-4-7-16(27-20)13-26-21(25)14-5-2-1-3-6-14/h1-3,5-6,9-11,16,19-20H,4,7-8,12-13H2