Methylthymol blue

pentasodium;2-[[5-[(Z)-[3-[[bis(carboxylatomethyl)amino]methyl]-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene]-(2-sulfonatophenyl)methyl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate

Also Known As: Methylthymol blue|Methylthymol blue,pentasodium salt,pure,96|METHYLTHYMOL BLUE, PENTASODIUM SALT, PURE, 96|pentasodium;2-[[5-[(Z)-[3-[[bis(carboxylatomethyl)amino]methyl]-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene]-(2-sulfonatophenyl)methyl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate|c acid, sodium salt, sodium salt, so dium salt, sodium salt, sodium salt|Glycine, N-((3-((3-((bis(carboxymethyl)amino)methyl)-4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)(2-sulfophenyl)methylene)-2-methyl-5-(1-methylethyl)-6-oxo-1,4-cyclohex adien-1-yl)methyl)-N-(carboxymethyl)-, pentasodium salt|glycine,n-[[3-[[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-(1-me|2-[({5-[(3-{[bis(carboxymethyl)amino]methyl}-2-methyl-5-(methylethyl)-4-oxocyc lohexa-2,5-dienylidene)(2-sulfophenyl)methyl]-2-hydroxy-6-methyl-3-(methylethy l)phenyl}methyl)(carboxymethyl)amino]aceti|Glycine, N-[[3-[[3-[[bis(carboxymethyl) amino]methyl]-4-hydroxy-2-methyl-5-(1-methylethyl )phenyl](2-sulfophenyl)methylene]-2-methyl-5 -(1-methylethyl)-6-oxo-1,4-cyclohexadien-1-yl]meth yl]-N-(carboxymethyl)-, pentasodium salt|Glycine,N-[[3-[[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-(1-methylethyl)phenyl](2-sulfophenyl)methylene]-2-methyl-5-(1-methylethyl)-6-oxo-1,4-cyclohexadien-1-yl]methyl]-N-(carboxymethyl)-,pentasodium salt (9CI)|pentasodium 2-[[5-[(E)-[3-[[bis(2-oxido-2-oxoethyl)amino]methyl]-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene]-(2-sulfonatophenyl)methyl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(2-oxido-2-oxoethyl)amino]acetate|pentasodium 2-[[5-[(Z)-[3-[[bis(2-oxido-2-oxoethyl)amino]methyl]-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene]-(2-sulfonatophenyl)methyl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(2-oxido-2-oxoethyl)amino]acetate|pentasodium 2-[[5-[(Z)-[3-[[bis(carboxylatomethyl)amino]methyl]-5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene]-(2-sulfonatophenyl)methyl]-2-hydroxy-3-isopropyl-6-methyl-phenyl]methyl-(carboxylatomethyl)amino]acetate|pentasodium 2-[[5-[[3-[[bis(2-oxido-2-oxoethyl)amino]methyl]-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene]-(2-sulfonatophenyl)methyl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(2-oxido-2-oxoethyl)amino]acetate

Molecular Formula	C37H39N2Na5O13S
Molecular Weight	866.16614 g/mol
LogP	-16.86478
Topological Polar Surface Area	261.5 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	15
Rotatable Bonds	17
Exact Mass	866.16614
Monoisotopic Mass	866.16614
Heavy Atoms	58
Complexity	2034.5919

Chemical Identifiers

CAS Number	4310-80-9
SMILES	CC1=C(C=C(C(=C1CN(CC(=O)[O-])CC(=O)[O-])O)C(C)C)/C(=C/2\C=C(C(=O)C(=C2C)CN(CC(=O)[O-])CC(=O)[O-])C(C)C)/C3=CC=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]