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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 > carbon group molecular entity > organic molecular entity > iometopane

Preferred term

iometopane  

Type

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

Broader concept

charge

  • 0

formula

  • C16H20INO2

inchi

  • InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1

inchikey

  • SIIICDNNMDMWCI-YJNKXOJESA-N

mass

  • 385.245

monoisotopicmass

  • 385.05387

smiles

  • CN1[C@]2(CC[C@]1([H])[C@@]([C@](C2)(C3=CC=C(C=C3)I)[H])([H])C(=O)OC)[H]

subset

  • 2_STAR

synonym EXACT

  • methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232145

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