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Chemistry, part 3

Content language

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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 f 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 f isonitrile

Preferred term

mirabilene f isonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C27H47NO5

inchi

  • InChI=1S/C27H47NO5/c1-11-12-23(29-6)16-24(30-7)17-25(31-8)18-26(32-9)19-27(33-10)21(3)15-20(2)13-14-22(4)28-5/h11,13,15,22-27H,1,12,14,16-19H2,2-4,6-10H3/b20-13+,21-15+/t22-,23-,24-,25-,26-,27-/m0/s1

inchikey

  • ZPVKYVUDKSAXRS-GKAJUAEBSA-N

mass

  • 465.675

monoisotopicmass

  • 465.34542

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)C[C@@H](OC)CC=C)C

subset

  • 2_STAR

synonym EXACT

  • (4S,6S,8S,10S,12S,13E,15E,18S)-18-isocyano-4,6,8,10,12-pentamethoxy-13,15-dimethylnonadeca-1,13,15-triene

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212971

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