3,4,5-tris(10-methylundecyl)phthalate

Systemtic Name: 3,4,5-tris(10-methylundecyl)phthalate Openeye Name: 3,4,5-tris(10-methylundecyl)phthalate CAS Name: 3,4,5-tris(10-methylundecyl)phthalate IUPAC Name: 3,4,5-tris(10-methylundecyl)phthalate Traditional Name: 3,4,5-tris(10-methylundecyl)phthalate Formula: C44H76O4-2 MolecularWeight: 669.07184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])CCCCCCCCCC(C)C)CCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])CCCCCCCCCC(C)C)CCCCCCCCCC(C)C

InChI

InChI=1S/C44H78O4/c1-35(2)28-22-16-10-7-13-19-25-31-38-34-41(43(45)46)42(44(47)48)40(33-27-21-15-9-12-18-24-30-37(5)6)39(38)32-26-20-14-8-11-17-23-29-36(3)4/h34-37H,7-33H2,1-6H3,(H,45,46)(H,47,48)/p-2