bis(6-methylheptyl) 4-bromanyl-5-methyl-benzene-1,2-dicarboxylate

Systemtic Name: bis(6-methylheptyl) 4-bromanyl-5-methyl-benzene-1,2-dicarboxylate Openeye Name: bis(6-methylheptyl) 4-bromo-5-methyl-benzene-1,2-dicarboxylate CAS Name: 4-bromo-5-methylbenzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester IUPAC Name: bis(6-methylheptyl) 4-bromo-5-methylbenzene-1,2-dicarboxylate Traditional Name: 4-bromo-5-methyl-benzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester Formula: C25H39BrO4 MolecularWeight: 483.47876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C)Br

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C)Br

InChI

InChI=1S/C25H39BrO4/c1-18(2)12-8-6-10-14-29-24(27)21-16-20(5)23(26)17-22(21)25(28)30-15-11-7-9-13-19(3)4/h16-19H,6-15H2,1-5H3