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Concept information

Preferred term

magnesium octaethylporphyrin  

Type

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

Broader concept

charge

  • 0

formula

  • C36H44MgN4

has_role

inchi

  • InChI=1S/C36H44N4.Mg/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;

inchikey

  • TVLQTHMQVIWHGP-XTPDIVBZSA-N

mass

  • 557.068

monoisotopicmass

  • 556.34164

smiles

  • C1=C2C(=C(C=3N2[Mg]N4C(C=C5N=C(C3)C(=C5CC)CC)=C(C(=C4C=C6N=C1C(=C6CC)CC)CC)CC)CC)CC

subset

  • 3_STAR

synonym EXACT

  • [2,3,7,8,12,13,17,18-octaethylporphyrinato(2-)-kappa(4)N(21),N(22),N(23),N(24)]magnesium

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:51227

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