Bromothymol Blue sodium salt

sodium 2-[(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(3-bromo-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate

Also Known As: Bromothymol Blue sodium salt|Bromothymol blue|Bromthymol Blue sodium|Bromothymol blue sodium|Bromothymolbluesodiumsalt|BROMOTHYMOL BLUE, ACS|Bromothymol Blue, sodium salt|KS-00000YEC|B-8988|Bromothymol blue sodium salt solution (0.04 wt. % in H2O)|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, monosodium salt|sodium 2-[(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)(3-bromo-5-isopropyl-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate|Sodium 2-{[3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl][3-bromo-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]methyl}benzene-1-sulfonate|Sodium alpha-(3-bromo-5-isopropyl-4-oxo-2-methyl-2,5-cyclohexadienylidene)-2-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)toluenesulphonate|sodium;2-[(Z)-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(3-bromo-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate

Molecular Formula	C27H27Br2NaO5S
Molecular Weight	643.9844 g/mol
LogP	4.13052
Topological Polar Surface Area	94.5 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	643.9844
Monoisotopic Mass	645.9823
Heavy Atoms	36
Complexity	1434.2996

Chemical Identifiers

CAS Number	34722-90-2
SMILES	CC1=C(C=C(C(=C1Br)O)C(C)C)C(=C2C=C(C(=O)C(=C2C)Br)C(C)C)C3=CC=CC=C3S(=O)(=O)[O-].[Na+]