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Substance Name: 3'-Cytidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxyadenylyl-(3'.5')-N-benzoyl-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester
RN: 71459-60-4
InChIKey: FLXJQCROKCFKGC-CMZLIIHQSA-N

Molecular Formula

  • C69-H61-Cl2-N9-O16-P2

Molecular Weight

  • 1405.1419
 
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Names and Synonyms

Synonym

  • EINECS 275-470-5

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71459-60-4

System Generated Number

  • 0071459604

Structure Descriptors

InChI

1S/C69H61Cl2N9O16P2/c1-86-52-27-19-48(20-28-52)69(47-17-10-5-11-18-47,49-21-29-53(87-2)30-22-49)88-41-58-56(40-62(91-58)80-44-75-63-64(73-43-74-65(63)80)78-67(82)46-15-8-4-9-16-46)96-98(85,94-55-33-25-51(71)26-34-55)90-42-59-57(95-97(84,89-38-12-36-72)93-54-31-23-50(70)24-32-54)39-61(92-59)79-37-35-60(77-68(79)83)76-66(81)45-13-6-3-7-14-45/h3-11,13-35,37,43-44,56-59,61-62H,12,38-42H2,1-2H3,(H,73,74,78,82)(H,76,77,81,83)/t56-,57-,58+,59+,61+,62+,97?,98?/m0/s1

InChIKey

FLXJQCROKCFKGC-CMZLIIHQSA-N

Smiles

COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5ncnc6NC(=O)c7ccccc7)OP(=O)(OC[C@@H]8[C@H](C[C@@H](O8)n9ccc(nc9=O)NC(=O)c1ccccc1)OP(=O)(OCCC#N)Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl