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Reference substances

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General information

Inventory

EC number:
227-022-5
EC name:
Hydrogen bis[2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoato(2-)]chromate(1-)
CAS number:
5601-29-6

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Reference substance information

IUPAC name:
Chromium(3+) ion hydrogen bis([(6E)-6-{2-[(4Z)-3-methyl-5-oxo-1-phenyl-4 ,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1 -ylidene}cyclohexa-2,4-dien-1- ylidene]methanebis(olate))
Synonyms
Names:
Identifier:
common name
Acid Yellow 121

CAS information

CAS number:
5601-29-6

Molecular and structural information

Molecular formula:
C34H24CrN8O6.H
Molecular weight:
695.633
SMILES notation:
c12[N]3=N[C@@-]4C(N(N=C4C)c4ccccc4)=O[Cr+3]453([N](=N[C@@-]3C(N(N=C3C)c3ccccc3)=O5)c3c(C(=O)[O-]4)cccc3)[O-]C(c1cccc2)=O
InChl:
1S/2C17H13N4O3.Cr/c2*1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;/h2*2-10H,1H3,(H,23,24);/q2*-1;+3/p-1/b2*19-18+;
Structural formula:
Chemical structure