NSC47740

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Creator
US National Cancer Institute
Publication Date
2005-08-22
Alternative Title
C.I. Acid Brown 75
Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
Metadata
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Citation
Unknown author (2005). NSC47740. [chemical structure]. http://www.dspace.cam.ac.uk/handle/1810/48108
Identifiers
NSC47740
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/48108
IUPAC Chemical Identifier (IChI): C28H17N9O16S2,38-35(39)14-3H-1H-13(2H-4H-14)29-34-25-27(50H)20(11H-21(28(25)51H)33-31-19-7H-15(36(40)41)8H-22(26(19)49H)37(42)43)32-30-18-9H-16(54(44,45)52H)5H-12-6H-17(55(46,47)53H)10H-23(48H)24(12)18
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C28H17N9O16S2/c38-23-10-17(55(51,52)53)6-12-5-16(54(48,49)50)9-18(24(12)23)30-32-20-11-21(33-31-19-7-15(36(44)45)8-22(26(19)39)37(46)47)28(41)25(27(20)40)34-29-13-1-3-14(4-2-13)35(42)43/h1-11,38-41H,(H,48,49,50)(H,51,52,53)/b32-30+,33-31+,34-29+
IUPAC/NIST Chemical Identifier Key (INChI): DLFQBOOBABMDKU-PKDJZJALSA-N