bis(6-methylheptyl) 3-methylbenzene-1,2-dicarboxylate

Systemtic Name: bis(6-methylheptyl) 3-methylbenzene-1,2-dicarboxylate Openeye Name: bis(6-methylheptyl) 3-methylbenzene-1,2-dicarboxylate CAS Name: 3-methylbenzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester IUPAC Name: bis(6-methylheptyl) 3-methylbenzene-1,2-dicarboxylate Traditional Name: 3-methylbenzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester Formula: C25H40O4 MolecularWeight: 404.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1C(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C

InChI

InChI=1S/C25H40O4/c1-19(2)13-8-6-10-17-28-24(26)22-16-12-15-21(5)23(22)25(27)29-18-11-7-9-14-20(3)4/h12,15-16,19-20H,6-11,13-14,17-18H2,1-5H3