3,4-dioctylphthalate; phthalate

Systemtic Name: 3,4-dioctylphthalate; phthalate Openeye Name: 3,4-dioctylphthalate; phthalate CAS Name: 3,4-dioctylphthalate; phthalate IUPAC Name: 3,4-dioctylphthalate; phthalate Traditional Name: 3,4-dioctylphthalate; phthalate Formula: C32H40O8-4 MolecularWeight: 552.6552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C24H38O4.C8H6O4/c1-3-5-7-9-11-13-15-19-17-18-21(23(25)26)22(24(27)28)20(19)16-14-12-10-8-6-4-2;9-7(10)5-3-1-2-4-6(5)8(11)12/h17-18H,3-16H2,1-2H3,(H,25,26)(H,27,28);1-4H,(H,9,10)(H,11,12)/p-4