3,4-bis(4-methylpentyl)phthalate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCC(C)C

Isomeric SMILES

CC(C)CCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCC(C)C

InChI

InChI=1S/C20H30O4/c1-13(2)7-5-9-15-11-12-17(19(21)22)18(20(23)24)16(15)10-6-8-14(3)4/h11-14H,5-10H2,1-4H3,(H,21,22)(H,23,24)/p-2