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Substance Name: Benz(a)anthracene-1,2-diol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)-
RN: 60968-06-1
InChIKey: SETJHQUILZLWPY-JAXLGGSGSA-N

Molecular Formula

  • C22-H19-Br-O4

Molecular Weight

  • 427.292
 
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Names and Synonyms

  • Benz(a)anthracene-1,2-diol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 60968-06-1

System Generated Number

  • 0060968061

Structure Descriptors

InChI

1S/C22H19BrO4/c1-12(24)26-20-11-19(23)17-8-7-16-9-14-5-3-4-6-15(14)10-18(16)21(17)22(20)27-13(2)25/h3-10,19-20,22H,11H2,1-2H3/t19-,20-,22+/m0/s1

InChIKey

SETJHQUILZLWPY-JAXLGGSGSA-N

Smiles

c12c(ccc3cc4ccccc4cc13)[C@H](C[C@@H]([C@H]2OC(C)=O)OC(C)=O)Br