3,4-dibutylphthalate; phthalate

Systemtic Name: 3,4-dibutylphthalate; phthalate Openeye Name: 3,4-dibutylphthalate; phthalate CAS Name: 3,4-dibutylphthalate; phthalate IUPAC Name: 3,4-dibutylphthalate; phthalate Traditional Name: 3,4-dibutylphthalate; phthalate Formula: C24H24O8-4 MolecularWeight: 440.44256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCC.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCC.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H22O4.C8H6O4/c1-3-5-7-11-9-10-13(15(17)18)14(16(19)20)12(11)8-6-4-2;9-7(10)5-3-1-2-4-6(5)8(11)12/h9-10H,3-8H2,1-2H3,(H,17,18)(H,19,20);1-4H,(H,9,10)(H,11,12)/p-4