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

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

Click to see the large picture

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=CC=C1Br

Isomeric SMILES

CC1=CC=C(C=C1)C(COC(=O)C(C)C)(COC(=O)C(C)C)O.CC1=CC=CC=C1Br

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;1-6-4-2-3-5-7(6)8/h6-9,12-13,21H,10-11H2,1-5H3;2-5H,1H3