NSC65869
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Creator
US National Cancer Institute
Publication Date
2005-08-23Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
Metadata
Show full item recordIdentifiers
NSC65869
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/60125
IUPAC Chemical Identifier (IChI): C44H30N12O18S4,45H2-37-35-23(17H-31(75(61,62)71H)39(37)51-47-27-9H-13H-29(14H-10H-27)55(57)58)19H-33(77(65,66)73H)41(43(35)69H)53-49-25-5H-1H-21(2H-6H-25)22-3H-7H-26(8H-4H-22)50-54-42-34(78(67,68)74H)20H-24-18H-32(76(63,64)72H)40(38(46H2)36(24)44(42)70H)52-48-28-11H-15H-30(16H-12H-28)56(59)60
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C44H30N12O18S4/c45-37-35-23(17-31(75(63,64)65)39(37)51-47-27-9-13-29(14-10-27)55(59)60)19-33(77(69,70)71)41(43(35)57)53-49-25-5-1-21(2-6-25)22-3-7-26(8-4-22)50-54-42-34(78(72,73)74)20-24-18-32(76(66,67)68)40(38(46)36(24)44(42)58)52-48-28-11-15-30(16-12-28)56(61)62/h1-20,57-58H,45-46H2,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)/b51-47+,52-48+,53-49+,54-50+
IUPAC/NIST Chemical Identifier Key (INChI): WFCVVBYBUWTIQH-VEPJPSMFSA-N