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Substance Name: ibenz(a,j)anthracene-3,4-diol, 3,4-dihydro-7,14-dimethyl-, diacetate, trans-
RN: 114350-59-3
InChIKey: QEMVFRITIIBAJV-LSYYVWMOSA-N

Molecular Formula

  • C28-H24-O4

Molecular Weight

  • 424.494
 
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Names and Synonyms

  • ibenz(a,j)anthracene-3,4-diol, 3,4-dihydro-7,14-dimethyl-, diacetate, trans-

Registry Numbers

CAS Registry Number

  • 114350-59-3

Related Registry Number

  • 114326-36-2 (Parent)

System Generated Number

  • 0114350593

Structure Descriptors

InChI

1S/C28H24O4/c1-15-20-10-9-19-7-5-6-8-22(19)26(20)16(2)27-21(15)11-12-24-23(27)13-14-25(31-17(3)29)28(24)32-18(4)30/h5-14,25,28H,1-4H3/t25-,28-/m0/s1

InChIKey

QEMVFRITIIBAJV-LSYYVWMOSA-N

Smiles

c12c(ccc3c(c4ccc5c(c4c(c13)C)cccc5)C)[C@@H]([C@H](C=C2)OC(C)=O)OC(C)=O