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Concept information

... > organooxygen compound > ester > carboxylic ester > phthalate ester > phthalic acid monoester > mono(5-carboxy-2-ethylpentyl) phthalate

Preferred term

mono(5-carboxy-2-ethylpentyl) phthalate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C16H20O6

has_role

inchi

  • InChI=1S/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)

inchikey

  • XFGRNAPKLGXDGF-UHFFFAOYSA-N

mass

  • 308.327

monoisotopicmass

  • 308.12599

smiles

  • C=1C=CC(=C(C1)C(=O)OCC(CC)CCCC(=O)O)C(=O)O

subset

  • 3_STAR

synonym EXACT

  • 2-{[(5-carboxy-2-ethylpentyl)oxy]carbonyl}benzoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:132611

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