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Substance Name: 3'-Thymidylic acid, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-, 4-chlorophenyl 2-cyanoethyl ester
RN: 67221-57-2
InChIKey: KMAIJYOXEPVANG-JNTXQERPSA-N

Molecular Formula

  • C40-H39-Cl-N3-O10-P

Molecular Weight

  • 789.194
 
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Names and Synonyms

Synonym

  • EINECS 266-606-4

Systematic Name

  • 3'-Thymidylic acid, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-, 4-chlorophenyl 2-cyanoethyl ester

Registry Numbers

CAS Registry Number

  • 67221-57-2

System Generated Number

  • 0067221572

Structure Descriptors

InChI

1S/C40H40ClN3O10P/c1-27-25-44(39(47)43-38(27)46)37-24-35(45)36(52-37)26-54(55(48,51-23-7-22-42)53-34-20-14-31(41)15-21-34)40(28-8-5-4-6-9-28,29-10-16-32(49-2)17-11-29)30-12-18-33(50-3)19-13-30/h4-6,8-21,25,35-37,45H,7,23-24,26H2,1-3H3,(H,43,46,47)/t35-,36+,37+,55?/m0/s1

InChIKey

KMAIJYOXEPVANG-JNTXQERPSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO(C(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)P(=O)(OCCC#N)Oc6ccc(cc6)Cl)O