DIRECT BLUE 75

CAS No.
6428-60-0
CCD No.
CCD00046949
Formula
C42 H25 N7 O13 S4 . 4 Na
MolWeight
1055.92

Basic Information

Product Name: DIRECT BLUE 75
CAS: 6428-60-0
English Synonyms: TETRASODIUM 7-ANILINO-4-HYDROXY-3-[[6-SULFONATO-4-([6-SULFONATO-4-[(3-SULFONATOPHENYL)DIAZENYL]-1-NAPHTHYL]DIAZENYL)-1-NAPHTHYL]DIAZENYL]-2-NAPHTHALENESULFONATE ; DIRECT BLUE 75 ; CI DIRECT BLUE 75 ; CHLORANTINE FAST BLUE 2GL
MDL Number.: MFCD00071901
H bond acceptor: 20
H bond donor: 2
Smile: c1ccc(cc1)Nc2ccc3c(c2)cc(c(c3O)/N=N/c4ccc(c5c4ccc(c5)S(=O)(=O)[O-])/N=N/c6ccc(c7c6ccc(c7)S(=O)(=O)[O-])/N=N/c8cccc(c8)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChi: InChI=1S/C42H29N7O13S4.4Na/c50-42-31-12-9-26(43-25-5-2-1-3-6-25)19-24(31)20-40(66(60,61)62)41(42)49-48-37-16-18-39(35-23-30(65(57,58)59)11-14-33(35)37)47-46-36-15-17-38(34-22-29(64(54,55)56)10-13-32(34)36)45-44-27-7-4-8-28(21-27)63(51,52)53;;;;/h1-23,43,50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4/b45-44+,47-46+,49-48+;;;;
InChiKey: InChIKey=CTIIFDITHFRQBX-CMISFLNESA-J

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