RefChem:172634

disodium;5-[[4-chloro-6-(3-phosphonoanilino)-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-methoxy-3-sulfonatophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonate

Also Known As: Phenazinium, 3-((4-((4-chloro-6-((3-phosphonophenyl)amino)-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|Phenazinium, 3-((4-((4-chloro-6-((3-phosphonophenyl)amino)-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)|Phenazinium, 3-[[4-[[4-chloro-6-[(3-phosphonophenyl)amino]-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|disodium 5-[[4-chloro-6-(3-phosphonoanilino)-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-methoxy-3-sulfonatophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonate|Phenazinium, 3-((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-7-(ethyl((3-sulfophenyl)methyl)amino)-5-(4-methoxy-3-sulfophenyl)-, hydroxide, inner salt, disodium salt|Phenazinium, 3-[[4-[[4-chloro-6-[(3-phosphonophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfophenyl)-, hydroxide, inner salt, disodium salt|Phenazinium, 3-[[4-[[4-chloro-6-[(3-phosphonophenyl)amino]-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	C43H35ClN9Na2O13PS3
Molecular Weight	1093.0739 g/mol
LogP	-0.7077
Topological Polar Surface Area	358.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	21
Rotatable Bonds	13
Exact Mass	1093.0739
Monoisotopic Mass	1093.0739
Heavy Atoms	72
Complexity	2100.0

Chemical Identifiers

CAS Number	69013-35-0
SMILES	CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC3=[N+](C4=C(C=CC(=C4)NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)NC7=CC(=CC=C7)P(=O)(O)O)Cl)S(=O)(=O)[O-])N=C3C=C2)C8=CC(=C(C=C8)OC)S(=O)(=O)[O-].[Na+].[Na+]
InChIKey	NGIRJFITDHIWJA-UHFFFAOYSA-L