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

Systemtic Name: 3,4-bis(2,2-dimethylbutyl)phthalate Openeye Name: 3,4-bis(2,2-dimethylbutyl)phthalate CAS Name: 3,4-bis(2,2-dimethylbutyl)phthalate IUPAC Name: 3,4-bis(2,2-dimethylbutyl)phthalate Traditional Name: 3,4-bis(2,2-dimethylbutyl)phthalate Formula: C20H28O4-2 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30O4/c1-7-19(3,4)11-13-9-10-14(17(21)22)16(18(23)24)15(13)12-20(5,6)8-2/h9-10H,7-8,11-12H2,1-6H3,(H,21,22)(H,23,24)/p-2