Pentasodium 7-[[4-[[4-[[5-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulphonato-1-Anthryl)Amino]-2-Sulphonatophenyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo]Naphthalene-1,3,5-Trisulphonate
[CAS# 94159-05-4]

Identification

• Name: Pentasodium 7-[[4-[[4-[[5-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulphonato-1-Anthryl)Amino]-2-Sulphonatophenyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo]Naphthalene-1,3,5-Trisulphonate
• Synonyms: Pentasodium 7-[4-[[4-[[5-[(4-Amino-9,10-Dioxo-3-Sulfonato-1-Anthryl)Amino]-2-Sulfonato-Phenyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azonaphthalene-1,3,5-Trisulfonate; Pentasodium 7-[4-[[4-[[5-[(4-Amino-9,10-Dioxo-3-Sulfonato-1-Anthryl)Amino]-2-Su
• Molecular Formula: C₃₉H₂₁ClN₉Na₅O₁₇S₅
• Molecular Weight: 1198.35
• CAS Registry Number: 94159-05-4
• EINECS: 303-180-1
• SMILES: C8=C(NC1=CC(=C([S]([O-])(=O)=O)C=C1)NC2=NC(=NC(=N2)Cl)NC5=CC=C(N=NC3=CC4=C(C(=C3)[S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)C=C4[S]([O-])(=O)=O)C=C5)C6=C(C(=O)C7=C(C6=O)C=CC=C7)C(=C8[S]([O-])(=O)=O)N.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C39H26ClN9O17S5.5Na/c40-37-45-38(43-17-5-7-18(8-6-17)48-49-20-11-24-25(29(13-20)69(58,59)60)14-21(67(52,53)54)15-30(24)70(61,62)63)47-39(46-37)44-26-12-19(9-10-28(26)68(55,56)57)42-27-16-31(71(64,65)66)34(41)33-32(27)35(50)22-3-1-2-4-23(22)36(33)51
• InChIKey: KFRWQMRFNAXWAV-UHFFFAOYSA-I