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Substance Name: Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydrobenz(a)anthracene-1,2-diyl ester, (1S-(1alpha(S*),2alpha(S*)))-
RN: 91422-87-6
InChIKey: SETNSIOOVAZMAV-ZACWAEJXSA-N

Molecular Formula

  • C38-H30-F6-O6

Molecular Weight

  • 696.637
 
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Names and Synonyms

  • Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydrobenz(a)anthracene-1,2-diyl ester, (1S-(1alpha(S*),2alpha(S*)))-

Registry Numbers

CAS Registry Number

  • 91422-87-6

System Generated Number

  • 0091422876

Structure Descriptors

InChI

1S/C38H30F6O6/c1-47-35(37(39,40)41,27-13-5-3-6-14-27)33(45)49-30-20-19-23-17-18-26-21-24-11-9-10-12-25(24)22-29(26)31(23)32(30)50-34(46)36(48-2,38(42,43)44)28-15-7-4-8-16-28/h3-18,21-22,30,32H,19-20H2,1-2H3/t30-,32-,35-,36-/m1/s1

InChIKey

SETNSIOOVAZMAV-ZACWAEJXSA-N

Smiles

c12c(ccc3cc4ccccc4cc13)CC[C@H]([C@H]2OC([C@@](c1ccccc1)(C(F)(F)F)OC)=O)OC([C@@](c1ccccc1)(C(F)(F)F)OC)=O