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

Systemtic Name: 3,4-bis(2,2-dimethylpentyl)phthalate Openeye Name: 3,4-bis(2,2-dimethylpentyl)phthalate CAS Name: 3,4-bis(2,2-dimethylpentyl)phthalate IUPAC Name: 3,4-bis(2,2-dimethylpentyl)phthalate Traditional Name: 3,4-bis(2,2-dimethylpentyl)phthalate Formula: C22H32O4-2 MolecularWeight: 360.48708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O4/c1-7-11-21(3,4)13-15-9-10-16(19(23)24)18(20(25)26)17(15)14-22(5,6)12-8-2/h9-10H,7-8,11-14H2,1-6H3,(H,23,24)(H,25,26)/p-2