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Substance Name: 3'-Thymidylic acid, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-, 2-chlorophenyl 2-cyanoethyl ester
RN: 80817-37-4
InChIKey: IJQNVUYRCQVJQH-JNTXQERPSA-N

Molecular Formula

  • C40-H39-Cl-N3-O10-P

Molecular Weight

  • 788.1861
 
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Names and Synonyms

Synonym

  • EINECS 279-565-2

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 80817-37-4

System Generated Number

  • 0080817374

Structure Descriptors

InChI

1S/C40H39ClN3O10P/c1-27-25-44(39(46)43-38(27)45)37-24-35(54-55(47,51-23-9-22-42)53-34-13-8-7-12-33(34)41)36(52-37)26-50-40(28-10-5-4-6-11-28,29-14-18-31(48-2)19-15-29)30-16-20-32(49-3)21-17-30/h4-8,10-21,25,35-37H,9,23-24,26H2,1-3H3,(H,43,45,46)/t35-,36+,37+,55?/m0/s1

InChIKey

IJQNVUYRCQVJQH-JNTXQERPSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)OP(=O)(OCCC#N)Oc6ccccc6Cl