DIRECT RED 26

CAS No.
3687-80-7
CCD No.
CCD08024537
Formula
C37 H23 N6 O12 S3 . 3 Na
MolWeight
908.787

Basic Information

Product Name: DIRECT RED 26
CAS: 3687-80-7
English Synonyms: DIRECT RED 26
MDL Number.: MFCD00161181
H bond acceptor: 18
H bond donor: 4
Smile: c1ccc(cc1)/N=N/c2c(cc3cc(ccc3c2O)NC(=O)Nc4ccc5c(c4)cc(c(c5O)/N=N/c6ccc(c7c6cccc7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChi: InChI=1S/C37H26N6O12S3.3Na/c44-35-25-12-10-23(16-20(25)18-31(57(50,51)52)33(35)42-40-22-6-2-1-3-7-22)38-37(46)39-24-11-13-26-21(17-24)19-32(58(53,54)55)34(36(26)45)43-41-29-14-15-30(56(47,48)49)28-9-5-4-8-27(28)29;;;/h1-19,44-45H,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b42-40+,43-41+;;;
InChiKey: InChIKey=PMBLAVONGYFZEB-VVVPJKEESA-K

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