3,4-bis(2-propylheptyl)phthalate

Systemtic Name: 3,4-bis(2-propylheptyl)phthalate Openeye Name: 3,4-bis(2-propylheptyl)phthalate CAS Name: 3,4-bis(2-propylheptyl)phthalate IUPAC Name: 3,4-bis(2-propylheptyl)phthalate Traditional Name: 3,4-bis(2-propylheptyl)phthalate Formula: C28H44O4-2 MolecularWeight: 444.64656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O4/c1-5-9-11-15-21(13-7-3)19-23-17-18-24(27(29)30)26(28(31)32)25(23)20-22(14-8-4)16-12-10-6-2/h17-18,21-22H,5-16,19-20H2,1-4H3,(H,29,30)(H,31,32)/p-2