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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 > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > isocyanide > mirabilene a isonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > isocyanide > mirabilene a isonitrile

Preferred term

mirabilene a isonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C24H41NO4

inchi

  • InChI=1S/C24H41NO4/c1-10-11-21(26-6)15-22(27-7)16-23(28-8)17-24(29-9)19(3)14-18(2)12-13-20(4)25-5/h10,12,14,20-24H,1,11,13,15-17H2,2-4,6-9H3/b18-12+,19-14+/t20-,21-,22-,23-,24-/m0/s1

inchikey

  • HLKNQLQCOZENND-GAAPUSCWSA-N

mass

  • 407.595

monoisotopicmass

  • 407.30356

smiles

  • O([C@H](/C(=C/C(=C/C[C@@H]([N+]#[C-])C)/C)/C)C[C@@H](OC)C[C@@H](OC)C[C@@H](OC)CC=C)C

subset

  • 2_STAR

synonym EXACT

  • (4S,6S,8S,10S,11E,13E,16S)-16-isocyano-4,6,8,10-tetramethoxy-11,13-dimethylheptadeca-1,11,13-triene

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212944

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