CI ACID BLUE 127

CAS No.
6471-01-8
CCD No.
CCD08021486
Formula
C43 H30 N4 O10 S2 . 2 Na
MolWeight
872.84

Basic Information

Product Name: CI ACID BLUE 127
CAS: 6471-01-8
English Synonyms: CI ACID BLUE 127
MDL Number.: MFCD00137517
H bond acceptor: 14
H bond donor: 4
Smile: CC(C)(c1ccc(cc1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)[O-])c5ccc(cc5)Nc6cc(c(c7c6C(=O)c8ccccc8C7=O)N)S(=O)(=O)[O-].[Na+].[Na+]
InChi: InChI=1S/C43H32N4O10S2.2Na/c1-43(2,21-11-15-23(16-12-21)46-29-19-31(58(52,53)54)37(44)35-33(29)39(48)25-7-3-5-9-27(25)41(35)50)22-13-17-24(18-14-22)47-30-20-32(59(55,56)57)38(45)36-34(30)40(49)26-8-4-6-10-28(26)42(36)51;;/h3-20,46-47H,44-45H2,1-2H3,(H,52,53,54)(H,55,56,57);;/q;2*+1/p-2
InChiKey: InChIKey=HSGZLAUNLFGYFR-UHFFFAOYSA-L

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