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Fluorescent brightener 71

CAT: 0024-sc-357358Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-357358Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16090-02-1

Chemical Information

4,4'-bis(2-morpholino-4-anilino-s-triazinyl-6-amino)stilbene-2,2'-disulfonic acid disodium salt
CAS Number16090-02-1
PubChem CID27677
IUPAC Namedisodium;5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Molecular FormulaC40H38N12Na2O8S2
Molecular Weight924.9
Topological Polar Surface Area282
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count20
Rotatable Bond Count12
Heavy Atom Count64
Formal Charge0
Complexity1490
SMILES
C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N7CCOCC7)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC=CC=C8.[Na+].[Na+]
InChI
InChI=1S/C40H40N12O8S2.2Na/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52;;/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2
InChIKey
VUJGKADZTYCLIL-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of 4,4'-bis(2-morpholino-4-anilino-s-triazinyl-6-amino)stilbene-2,2'-disulfonic acid disodium salt
CAS: 16090-02-1
CID: 27677
Formula: C40H38N12Na2O8S2
MW: 924.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight924.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count20
Rotatable Bond Count12
Exact Mass924.21723713
Monoisotopic Mass924.21723713
Topological Polar Surface Area282 Ų
Heavy Atom Count64
Formal Charge0
Complexity1490
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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