2,4-dibutylbenzene-1,3-dicarboxylate

Systemtic Name: 2,4-dibutylbenzene-1,3-dicarboxylate Openeye Name: 2,4-dibutylbenzene-1,3-dicarboxylate CAS Name: 2,4-dibutylbenzene-1,3-dicarboxylate IUPAC Name: 2,4-dibutylbenzene-1,3-dicarboxylate Traditional Name: 2,4-dibutylisophthalate Formula: C16H20O4-2 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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