2-(2-ethylhexyl)benzene-1,3-dicarboxylate

Systemtic Name: 2-(2-ethylhexyl)benzene-1,3-dicarboxylate Openeye Name: 2-(2-ethylhexyl)benzene-1,3-dicarboxylate CAS Name: 2-(2-ethylhexyl)benzene-1,3-dicarboxylate IUPAC Name: 2-(2-ethylhexyl)benzene-1,3-dicarboxylate Traditional Name: 2-(2-ethylhexyl)isophthalate Formula: C16H20O4-2 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C=CC=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC(CC)CC1=C(C=CC=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H22O4/c1-3-5-7-11(4-2)10-14-12(15(17)18)8-6-9-13(14)16(19)20/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,17,18)(H,19,20)/p-2