3,4-bis(2-ethylheptyl)phthalate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O4/c1-5-9-11-13-19(7-3)17-21-15-16-22(25(27)28)24(26(29)30)23(21)18-20(8-4)14-12-10-6-2/h15-16,19-20H,5-14,17-18H2,1-4H3,(H,27,28)(H,29,30)/p-2