3,4-bis(2,4-dimethylheptyl)phthalate

Systemtic Name: 3,4-bis(2,4-dimethylheptyl)phthalate Openeye Name: 3,4-bis(2,4-dimethylheptyl)phthalate CAS Name: 3,4-bis(2,4-dimethylheptyl)phthalate IUPAC Name: 3,4-bis(2,4-dimethylheptyl)phthalate Traditional Name: 3,4-bis(2,4-dimethylheptyl)phthalate Formula: C26H40O4-2 MolecularWeight: 416.5934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(C)CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(C)CC(C)CCC

Isomeric SMILES

CCCC(C)CC(C)CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(C)CC(C)CCC

InChI

InChI=1S/C26H42O4/c1-7-9-17(3)13-19(5)15-21-11-12-22(25(27)28)24(26(29)30)23(21)16-20(6)14-18(4)10-8-2/h11-12,17-20H,7-10,13-16H2,1-6H3,(H,27,28)(H,29,30)/p-2