5-[(2S)-2-ethylhexoxy]benzene-1,3-dicarboxylate

Systemtic Name: 5-[(2S)-2-ethylhexoxy]benzene-1,3-dicarboxylate Openeye Name: 5-[(2S)-2-ethylhexoxy]benzene-1,3-dicarboxylate CAS Name: 5-[(2S)-2-ethylhexoxy]benzene-1,3-dicarboxylate IUPAC Name: 5-[(2S)-2-ethylhexoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[(2S)-2-ethylhexoxy]isophthalate Formula: C16H20O5-2 MolecularWeight: 292.327

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)COC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H22O5/c1-3-5-6-11(4-2)10-21-14-8-12(15(17)18)7-13(9-14)16(19)20/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)(H,19,20)/p-2/t11-/m0/s1