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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O4/c1-7-9-11-15-25(3,4)17-19-13-14-20(23(27)28)22(24(29)30)21(19)18-26(5,6)16-12-10-8-2/h13-14H,7-12,15-18H2,1-6H3,(H,27,28)(H,29,30)/p-2