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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > er 27319 maleate

Preferred term

er 27319 maleate  

Type

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

Broader concept

charge

  • 0

formula

  • C18H20N2O.C4H4O4

inchi

  • InChI=1S/C18H20N2O.C4H4O4/c1-12-8-9-15-17(13(12)2)20(11-5-10-19)16-7-4-3-6-14(16)18(15)21;5-3(6)1-2-4(7)8/h3-4,6-9H,5,10-11,19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

inchikey

  • WVUQPGFRFBVJKH-BTJKTKAUSA-N

mass

  • 396.443

monoisotopicmass

  • 396.16852

smiles

  • CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2CCCN)C.C(=C/C(=O)O)/C(=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231345

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