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23216-67-3

23216-67-3 structural image
Product Name: 3,3'-BIS(3-SULFOPROPYL)-4,5:4',5'-DIBENZO-9-ETHYLTHIACARBOCYANINE BETAINE TRIETHYLAMMONIUM SALT
Formula: C39H47N3O6S4
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 782.1 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 13
Exact Mass 781.23477092 g/mol
Monoisotopic Mass 781.23477092 g/mol
Topological Polar Surface Area 192 Ų
Heavy Atom Count 52
Formal Charge 0
Complexity 1320
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 2
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes