[4,5-bis(bromanyl)-3-(2-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 2-methylbenzoate

Systemtic Name: [4,5-bis(bromanyl)-3-(2-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 2-methylbenzoate Openeye Name: [4,5-dibromo-3-(2-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4,5-dibromo-3-[(2-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [4,5-dibromo-3-(2-methylbenzoyl)oxyoxolan-2-yl]methyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid (4,5-dibromo-3-o-toluoyloxy-tetrahydrofuran-2-yl)methyl ester Formula: C21H20Br2O5 MolecularWeight: 512.1885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC2C(C(C(O2)Br)Br)OC(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC2C(C(C(O2)Br)Br)OC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H20Br2O5/c1-12-7-3-5-9-14(12)20(24)26-11-16-18(17(22)19(23)27-16)28-21(25)15-10-6-4-8-13(15)2/h3-10,16-19H,11H2,1-2H3