3,4-diethylphthalate; 3-hexan-3-ylphthalate

Systemtic Name: 3,4-diethylphthalate; 3-hexan-3-ylphthalate Openeye Name: 3,4-diethylphthalate; 3-(1-ethylbutyl)phthalate CAS Name: 3,4-diethylphthalate; 3-hexan-3-ylphthalate IUPAC Name: 3,4-diethylphthalate; 3-hexan-3-ylphthalate Traditional Name: 3,4-diethylphthalate; 3-(1-ethylbutyl)phthalate Formula: C26H28O8-4 MolecularWeight: 468.49572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C1=CC=CC(=C1C(=O)[O-])C(=O)[O-].CCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC

Isomeric SMILES

CCCC(CC)C1=CC=CC(=C1C(=O)[O-])C(=O)[O-].CCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC

InChI

InChI=1S/C14H18O4.C12H14O4/c1-3-6-9(4-2)10-7-5-8-11(13(15)16)12(10)14(17)18;1-3-7-5-6-9(11(13)14)10(12(15)16)8(7)4-2/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)(H,17,18);5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)/p-4