3,4-bis(3,5-dimethylhexyl)phthalate

Systemtic Name: 3,4-bis(3,5-dimethylhexyl)phthalate Openeye Name: 3,4-bis(3,5-dimethylhexyl)phthalate CAS Name: 3,4-bis(3,5-dimethylhexyl)phthalate IUPAC Name: 3,4-bis(3,5-dimethylhexyl)phthalate Traditional Name: 3,4-bis(3,5-dimethylhexyl)phthalate Formula: C24H36O4-2 MolecularWeight: 388.54024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)CCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCC(C)CC(C)C

Isomeric SMILES

CC(C)CC(C)CCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCC(C)CC(C)C

InChI

InChI=1S/C24H38O4/c1-15(2)13-17(5)7-9-19-10-12-21(23(25)26)22(24(27)28)20(19)11-8-18(6)14-16(3)4/h10,12,15-18H,7-9,11,13-14H2,1-6H3,(H,25,26)(H,27,28)/p-2