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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > mono-carboxy isooctyl phthalate
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > mono-carboxy isooctyl phthalate

Preferred term

mono-carboxy isooctyl phthalate  

Type

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

Broader concept

charge

  • 0

formula

  • C17H22O6

inchi

  • InChI=1S/C17H22O6/c1-12(8-4-2-3-5-11-15(18)19)23-17(22)14-10-7-6-9-13(14)16(20)21/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,18,19)(H,20,21)

inchikey

  • RCOGHDLTLRKQOP-UHFFFAOYSA-N

mass

  • 322.357

monoisotopicmass

  • 322.14164

smiles

  • O(C(CCCCCCC(O)=O)C)C(=O)C=1C(=CC=CC1)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 2-(8-carboxyoctan-2-yloxycarbonyl)benzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:165210

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