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Substance Name: EINECS 278-853-5
RN: 78150-12-6
InChIKey: XDHLKPBOEHASJT-WHUCBNPSSA-N

Molecular Formula

  • C62-H58-Cl2-N6-O17-P2

Molecular Weight

  • 1292.0192
 
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Names and Synonyms

Results Name

  • EINECS 278-853-5

Synonym

  • EINECS 278-853-5

Systematic Name

  • 3'-Cytidylic acid, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(2-chlorophenyl)thymidylyl-(3'.5')-N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester

Registry Numbers

CAS Registry Number

  • 78150-12-6

System Generated Number

  • 0078150126

Structure Descriptors

InChI

1S/C62H58Cl2N6O17P2/c1-40-37-70(61(74)68-58(40)71)57-36-51(53(82-57)38-79-62(42-17-8-5-9-18-42,43-23-27-45(77-2)28-24-43)44-25-29-46(78-3)30-26-44)87-89(76,85-50-22-13-11-20-48(50)64)81-39-54-52(86-88(75,80-34-14-32-65)84-49-21-12-10-19-47(49)63)35-56(83-54)69-33-31-55(67-60(69)73)66-59(72)41-15-6-4-7-16-41/h4-13,15-31,33,37,51-54,56-57H,14,34-36,38-39H2,1-3H3,(H,68,71,74)(H,66,67,72,73)/t51-,52-,53+,54+,56+,57+,88?,89?/m0/s1

InChIKey

XDHLKPBOEHASJT-WHUCBNPSSA-N

Smiles

COc1ccc(cc1)C(OC[C@H]2O[C@H](C[C@@H]2OP(=O)(OC[C@H]3O[C@H](C[C@@H]3OP(=O)(OCCC#N)Oc4ccccc4Cl)N5C=CC(=NC5=O)NC(=O)c6ccccc6)Oc7ccccc7Cl)N8C=C(C)C(=O)NC8=O)(c9ccccc9)c%10ccc(OC)cc%10