Vat Red 44

bis(N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitroaniline);sulfate

Also Known As: Vat Red 44|EINECS 289-548-1|Benzothiazolium, 6-methoxy-3-methyl-2-(3-methyl-3-(4-nitrophenyl)-1-triazenyl)-, sulfate (2:1)|Benzothiazolium, 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-, sulfate (2:1)|Benzothiazolium, 6-methoxy-3-methyl-2-(3-methyl-3-(4-nitrophenyl)-1-triazen-1-yl)-, sulfate (2:1)|Bis(6-methoxy-3-methyl-2-(3-methyl-3-(4-nitrophenyl)triazen-1-yl)benzothiazolium) sulphate|Benzothiazolium, 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazen-1-yl]-, sulfate (2:1)|Bis{6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triaz-1-en-1-yl]-1,3-benzothiazol-3-ium} sulfate|N-[(6-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)diazenyl]-N-methyl-4-nitroaniline,sulfuric acid|N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitroaniline sulfate

Molecular Formula	C32H32N10O10S3
Molecular Weight	812.1465 g/mol
LogP	6.2174
Topological Polar Surface Area	248.68 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	16
Rotatable Bonds	10
Exact Mass	812.1465
Monoisotopic Mass	812.1465
Heavy Atoms	55
Complexity	2307.6904

Chemical Identifiers

CAS Number	89923-58-0
SMILES	C[N+]1=C(SC2=C1C=CC(=C2)OC)/N=N/N(C3=CC=C(C=C3)[N+](=O)[O-])C.C[N+]1=C(SC2=C1C=CC(=C2)OC)/N=N/N(C3=CC=C(C=C3)[N+](=O)[O-])C.[O-]S(=O)(=O)[O-]