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Substance Name: Benzo(a)pyrene-4,5,5a,6(5H)-tetrol, 4,6-dihydro-, 4,5,6-triacetate
RN: 62533-86-2
InChIKey: ZFUBMWIIPZXJEX-UHFFFAOYSA-N

Molecular Weight

  • 446.453
 
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Names and Synonyms

  • Benzo(a)pyrene-4,5,5a,6(5H)-tetrol, 4,6-dihydro-, 4,5,6-triacetate

Registry Numbers

CAS Registry Number

  • 62533-86-2

System Generated Number

  • 0062533862

Structure Descriptors

InChI

1S/C26H22O7/c1-13(27)31-23-20-10-6-7-16-11-12-18-17-8-4-5-9-19(17)24(32-14(2)28)26(30,22(18)21(16)20)25(23)33-15(3)29/h4-12,23-25,30H,1-3H3

InChIKey

ZFUBMWIIPZXJEX-UHFFFAOYSA-N

Smiles

c12c([C@@H]([C@@]3([C@@H]([C@@H](c4cccc5ccc1c3c45)OC(C)=O)OC(C)=O)O)OC(C)=O)cccc2