Phenazinium, 3-[[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfophenyl)-, inner salt, disodium salt

83929-57-1

CAS Name

Phenazinium, 3-[[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfophenyl)-, inner salt, sodium salt (1:2)

Molecular Formula

C₃₈H₃₃ClN₈O₁₁S₃.2Na

Other Names and Identifiers

InChI

InChI=1S/C38H33ClN8O11S3.2Na/c1-4-46(21-22-6-5-7-27(16-22)59(48,49)50)25-10-14-29-32(19-25)47(26-11-15-33(57-2)35(20-26)61(54,55)56)31-17-23(8-12-28(31)42-29)40-30-13-9-24(18-34(30)60(51,52)53)41-37-43-36(39)44-38(45-37)58-3;;/h5-20H,4,21H2,1-3H3,(H4,41,42,43,44,45,48,49,50,51,52,53,54,55,56);;

InChIKey

InChIKey=MDZUVCDMDCWBQN-UHFFFAOYSA-N

SMILES

N(CC1=CC(S(=O)(=O)O)=CC=C1)(CC)C2=CC=3[N+](=C4C(=NC3C=C2)C=CC(NC5=C(S(=O)(=O)O)C=C(NC=6N=C(OC)N=C(Cl)N6)C=C5)=C4)C7=CC(S(=O)(=O)[O-])=C(OC)C=C7.[Na]

Canonical SMILES

[Na].O=S(=O)([O-])C=1C=C(C=CC1OC)[N+]=2C=3C=C(C=CC3N=C4C=CC(=CC42)N(CC5=CC=CC(=C5)S(=O)(=O)O)CC)NC6=CC=C(C=C6S(=O)(=O)O)NC=7N=C(Cl)N=C(N7)OC

Other Names for this Substance