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Substance Name: Light green CF yellowish
RN: 6546-18-5
UNII: K414AX1M5S
InChIKey: BKRDOBVSJZKMFN-UHFFFAOYSA-L

Molecular Weight

  • 786.9566
 
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Names and Synonyms

Name of Substance

  • Light green CF yellowish

Synonyms

  • Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3- sulfophenyl)methyl)amino)phenyl)(4-sulfophenyl)methylene)-2,5- cyclohexadien-1-ylidene)-3-sulfo-, inner salt, calcium salt (1:1)
  • C.I. Acid Green 5, calcium salt (1:1)
  • D&C Green No. 4 (delisted)
  • UNII-K414AX1M5S

Registry Numbers

CAS Registry Number

  • 6546-18-5

FDA UNII

  • K414AX1M5S

System Generated Number

  • 0006546185

Structure Descriptors

InChI

1S/C37H36N2O9S3.Ca/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);/q;+2/p-2

InChIKey

BKRDOBVSJZKMFN-UHFFFAOYSA-L

Smiles

CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccc(cc5)S(=O)(=O)[O-].[Ca+2]