bis(6-methylheptyl) 4-methylbenzene-1,2-dicarboxylate

Systemtic Name: bis(6-methylheptyl) 4-methylbenzene-1,2-dicarboxylate Openeye Name: bis(6-methylheptyl) 4-methylbenzene-1,2-dicarboxylate CAS Name: 4-methylbenzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester IUPAC Name: bis(6-methylheptyl) 4-methylbenzene-1,2-dicarboxylate Traditional Name: 4-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(=C(C=C1)C(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4/c1-19(2)12-8-6-10-16-28-24(26)22-15-14-21(5)18-23(22)25(27)29-17-11-7-9-13-20(3)4/h14-15,18-20H,6-13,16-17H2,1-5H3