7-Benzothiazolesulfonic acid, 2-[4-[[4-[[3-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]-6-methyl-, disodium salt

85665-95-8

CAS Name

7-Benzothiazolesulfonic acid, 2-[4-[[4-[[3-[2-[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]-6-methyl-, sodium salt (1:2)

Molecular Formula

C₃₂H₂₇ClN₁₀O₉S₃.2Na

Other Names and Identifiers

InChI

InChI=1S/C32H27ClN10O9S3.2Na/c1-4-43-28(45)22(26(34)44)15(3)23(29(43)46)42-41-20-13-18(10-12-21(20)54(47,48)49)36-32-39-30(33)38-31(40-32)35-17-8-6-16(7-9-17)27-37-19-11-5-14(2)25(24(19)53-27)55(50,51)52;;/h5-13,46H,4H2,1-3H3,(H2,34,44)(H,47,48,49)(H,50,51,52)(H2,35,36,38,39,40);;

InChIKey

InChIKey=CMBULVYQISQMOS-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C1=C2C(N=C(S2)C3=CC=C(NC=4N=C(NC5=CC(N=NC=6C(C)=C(C(N)=O)C(=O)N(CC)C6O)=C(S(=O)(=O)O)C=C5)N=C(Cl)N4)C=C3)=CC=C1C.[Na]

Canonical SMILES

[Na].O=C(N)C=1C(=O)N(C(O)=C(N=NC2=CC(=CC=C2S(=O)(=O)O)NC=3N=C(Cl)N=C(N3)NC4=CC=C(C=C4)C5=NC=6C=CC(=C(C6S5)S(=O)(=O)O)C)C1C)CC

Other Names for this Substance