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Substance Name: Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)-
RN: 60968-19-6
InChIKey: VPANKINJKSQSFP-IDZRBWSNSA-N

Molecular Formula

  • C32-H23-Br-O4

Molecular Weight

  • 551.434
 
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Names and Synonyms

  • Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)-

Registry Numbers

CAS Registry Number

  • 60968-19-6

System Generated Number

  • 0060968196

Structure Descriptors

InChI

1S/C32H23BrO4/c33-28-19-29(36-31(34)21-10-3-1-4-11-21)30(37-32(35)22-12-5-2-6-13-22)27-18-25-23(17-26(27)28)16-15-20-9-7-8-14-24(20)25/h1-18,28-30H,19H2/t28-,29-,30-/m1/s1

InChIKey

VPANKINJKSQSFP-IDZRBWSNSA-N

Smiles

c12c(ccc3cc4[C@@H](C[C@H]([C@@H](c4cc13)OC(c1ccccc1)=O)OC(c1ccccc1)=O)Br)cccc2