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Substance Name: Vat Blue 30
RN: 6492-78-0
UNII: Y79NUI8NV3
InChIKey: FJYGWZSEFUBVML-UHFFFAOYSA-N

Molecular Formula

  • C37-H18-F3-N3-O5-S

Molecular Weight

  • 673.625
 
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Names and Synonyms

Name of Substance

  • Vat Blue 30

Synonyms

  • EINECS 229-370-3
  • UNII-Y79NUI8NV3

Systematic Name

  • N-(4-Amino-3-(5,10-dihydro-5,10-dioxoanthra(2,3-d)thiazol-2-yl)-9,10-dihydro-9,10-dioxo-1-anthryl)-3-(trifluoromethyl)benzamide

Registry Numbers

CAS Registry Number

  • 6492-78-0

FDA UNII

  • Y79NUI8NV3

System Generated Number

  • 0006492780

Structure Descriptors

InChI

1S/C37H18F3N3O5S/c38-37(39,40)17-7-5-6-16(12-17)35(48)42-26-14-24(30(41)29-28(26)33(46)20-10-3-4-11-21(20)34(29)47)36-43-25-13-22-23(15-27(25)49-36)32(45)19-9-2-1-8-18(19)31(22)44/h1-15H,41H2,(H,42,48)

InChIKey

FJYGWZSEFUBVML-UHFFFAOYSA-N

Smiles

c12c(C(c3ccccc3C1=O)=O)c(cc(c1nc3cc4C(c5ccccc5C(c4cc3s1)=O)=O)c2N)NC(c1cccc(C(F)(F)F)c1)=O