5-(2-ethylhexoxy)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-ethylhexoxy)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2-ethylhexoxy)benzene-1,3-dicarboxylic acid CAS Name: 5-(2-ethylhexoxy)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(2-ethylhexoxy)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2-ethylhexoxy)isophthalic acid Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(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)