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

Systemtic Name: 4-(2,2-dimethylhexyl)-3-hexyl-phthalate Openeye Name: 4-(2,2-dimethylhexyl)-3-hexyl-phthalate CAS Name: 4-(2,2-dimethylhexyl)-3-hexylphthalate IUPAC Name: 4-(2,2-dimethylhexyl)-3-hexylphthalate Traditional Name: 4-(2,2-dimethylhexyl)-3-hexyl-phthalate Formula: C22H32O4-2 MolecularWeight: 360.48708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CC(C)(C)CCCC

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CC(C)(C)CCCC

InChI

InChI=1S/C22H34O4/c1-5-7-9-10-11-17-16(15-22(3,4)14-8-6-2)12-13-18(20(23)24)19(17)21(25)26/h12-13H,5-11,14-15H2,1-4H3,(H,23,24)(H,25,26)/p-2