1-bromanyl-4-methyl-benzene; [2-(4-methylphenyl)-3-(2-methylpropanoyloxy)-2-oxidanyl-propyl] 2-methylpropanoate

Systemtic Name: 1-bromanyl-4-methyl-benzene; [2-(4-methylphenyl)-3-(2-methylpropanoyloxy)-2-oxidanyl-propyl] 2-methylpropanoate Openeye Name: 1-bromo-4-methyl-benzene; [2-hydroxy-3-(2-methylpropanoyloxy)-2-(p-tolyl)propyl] 2-methylpropanoate CAS Name: 1-bromo-4-methylbenzene; 2-methylpropanoic acid [2-hydroxy-3-(2-methyl-1-oxopropoxy)-2-(4-methylphenyl)propyl] ester IUPAC Name: 1-bromo-4-methylbenzene; [2-hydroxy-2-(4-methylphenyl)-3-(2-methylpropanoyloxy)propyl] 2-methylpropanoate Traditional Name: 1-bromo-4-methyl-benzene; 2-methylpropionic acid [2-hydroxy-3-isobutyryloxy-2-(p-tolyl)propyl] ester Formula: C25H33BrO5 MolecularWeight: 493.43052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(COC(=O)C(C)C)(COC(=O)C(C)C)O.CC1=CC=C(C=C1)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(COC(=O)C(C)C)(COC(=O)C(C)C)O.CC1=CC=C(C=C1)Br

InChI

InChI=1S/C18H26O5.C7H7Br/c1-12(2)16(19)22-10-18(21,11-23-17(20)13(3)4)15-8-6-14(5)7-9-15;1-6-2-4-7(8)5-3-6/h6-9,12-13,21H,10-11H2,1-5H3;2-5H,1H3