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Substance Name: Guaiacum Blue
RN: 10039-58-4
UNII: QS5C7E9070
InChIKey: NKXIYJZXMOLPIF-LRVMPXQBSA-N

Molecular Formula

  • C20-H18-O5

Molecular Weight

  • 338.3572
 
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Names and Synonyms

Name of Substance

  • Guaiacum Blue

Synonyms

  • 2,5-Cyclohexadien-1-one, 4,4'-(3,4-dimethyl-2,5-furandiylidene)bis(2-methoxy-
  • Furoguaiacin Blue
  • Guaiacum Blue
  • UNII-QS5C7E9070

Registry Numbers

CAS Registry Number

  • 10039-58-4

FDA UNII

  • QS5C7E9070

System Generated Number

  • 0010039584

Structure Descriptors

InChI

1S/C20H18O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-10H,1-4H3/b19-13-,20-14+

InChIKey

NKXIYJZXMOLPIF-LRVMPXQBSA-N

Smiles

COC1=C\C(=C/2\O\C(=C/3\C=CC(=O)C(=C3)OC)\C(=C2C)C)\C=CC1=O