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Substance Name: Benzo(a)pyrene-4,5,11,12-tetrol, 4,5,11,12-tetrahydro-, tetraacetate, (4alpha,5alpha,11beta,12beta)-
RN: 62533-85-1
InChIKey: QHKXRHIJJDATJN-VIJSPRBVSA-N

Molecular Weight

  • 488.49
 
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Names and Synonyms

  • Benzo(a)pyrene-4,5,11,12-tetrol, 4,5,11,12-tetrahydro-, tetraacetate, (4alpha,5alpha,11beta,12beta)-

Registry Numbers

CAS Registry Number

  • 62533-85-1

System Generated Number

  • 0062533851

Structure Descriptors

InChI

1S/C28H24O8/c1-13(29)33-25-19-10-7-11-20-22(19)23-21(27(25)35-15(3)31)12-17-8-5-6-9-18(17)24(23)28(36-16(4)32)26(20)34-14(2)30/h5-12,25-28H,1-4H3/t25-,26-,27+,28+/m1/s1

InChIKey

QHKXRHIJJDATJN-VIJSPRBVSA-N

Smiles

c12c(cc3[C@@H]([C@@H](c4cccc5[C@H]([C@H](c1c3c45)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)cccc2