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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O4/c1-13(2)15(5)7-9-17-10-12-19(21(23)24)20(22(25)26)18(17)11-8-16(6)14(3)4/h10,12-16H,7-9,11H2,1-6H3,(H,23,24)(H,25,26)/p-2