trimethyl (Z,3R)-3-(4-bromophenyl)carbonyloxy-1-methyl-but-1-ene-1,2,4-tricarboxylate

Systemtic Name: trimethyl (Z,3R)-3-(4-bromophenyl)carbonyloxy-1-methyl-but-1-ene-1,2,4-tricarboxylate Openeye Name: trimethyl (Z,3R)-3-(4-bromobenzoyl)oxy-1-methyl-but-1-ene-1,2,4-tricarboxylate CAS Name: (Z,3R)-3-[(4-bromophenyl)-oxomethoxy]-1-methyl-1-butene-1,2,4-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (Z,3R)-3-(4-bromobenzoyl)oxy-1-methylbut-1-ene-1,2,4-tricarboxylate Traditional Name: (Z,3R)-3-(4-bromobenzoyl)oxy-1-methyl-but-1-ene-1,2,4-tricarboxylic acid trimethyl ester Formula: C18H19BrO8 MolecularWeight: 443.24266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(CC(=O)OC)OC(=O)C1=CC=C(C=C1)Br)C(=O)OC)C(=O)OC

Isomeric SMILES

C/C(=C(\[C@@H](CC(=O)OC)OC(=O)C1=CC=C(C=C1)Br)/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C18H19BrO8/c1-10(16(21)25-3)15(18(23)26-4)13(9-14(20)24-2)27-17(22)11-5-7-12(19)8-6-11/h5-8,13H,9H2,1-4H3/b15-10-/t13-/m1/s1