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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ether > aromatic ether > pestalotether a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > pestalotether a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > pestalotether a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > pestalotether a

Preferred term

pestalotether a  

Type

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

Broader concept

charge

  • 0

formula

  • C18H17ClO8

inchi

  • InChI=1S/C18H17ClO8/c1-8-5-10(20)13(18(23)26-4)11(6-8)27-16-9(17(22)25-3)7-12(24-2)14(19)15(16)21/h5-7,20-21H,1-4H3

inchikey

  • UNYKCSQBZSEKRS-UHFFFAOYSA-N

mass

  • 396.780

monoisotopicmass

  • 396.06120

smiles

  • ClC1=C(O)C(OC2=C(C(O)=CC(=C2)C)C(=O)OC)=C(C(=O)OC)C=C1OC

subset

  • 2_STAR

synonym EXACT

  • methyl 4-chloro-3-hydroxy-2-(3-hydroxy-2-methoxycarbonyl-5-methylphenoxy)-5-methoxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210400

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