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1264298-45-4

1264298-45-4 structural image
Product Name: N,N-DIETHYL-1-ETHANAMINIUM 3-(2-[(Z)-2-(2-(DIPHENYLAMINO)-3-((E)-2-[5-METHOXY-3-(3-SULFONATOPROPYL)-1,3-BENZOTHIAZOL-3-IUM-2-YL]ETHENYL)-2-CYCLOPENTEN-1-YLIDENE)ETHYLIDENE]-5-METHOXY-1,3-BENZOTHIAZOL-3-YL)-1-PROPANESULFONATE
Formula: C49H58N4O8S4
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COMPUTED DESCRIPTORS

Molecular Weight 959.3 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 18
Exact Mass 958.31374952 g/mol
Monoisotopic Mass 958.31374952 g/mol
Topological Polar Surface Area 214 Ų
Heavy Atom Count 65
Formal Charge 0
Complexity 1720
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 3
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes