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

Systemtic Name: 3,4-bis(2,2-dimethylhexyl)phthalate Openeye Name: 3,4-bis(2,2-dimethylhexyl)phthalate CAS Name: 3,4-bis(2,2-dimethylhexyl)phthalate IUPAC Name: 3,4-bis(2,2-dimethylhexyl)phthalate Traditional Name: 3,4-bis(2,2-dimethylhexyl)phthalate Formula: C24H36O4-2 MolecularWeight: 388.54024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38O4/c1-7-9-13-23(3,4)15-17-11-12-18(21(25)26)20(22(27)28)19(17)16-24(5,6)14-10-8-2/h11-12H,7-10,13-16H2,1-6H3,(H,25,26)(H,27,28)/p-2