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CAT: 0752-19517-10Size: 10 gDry Ice: NoHazardous: No

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CAT#:0752-19517-10Size:10 g

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CAS Number

27344-41-8

IATA Restriction

False

HS Code

3204.90

Storage Conditions

Store at room temperature.

Chemical Information

Disodium distyrylbiphenyl disulfonate, (E,E)-

See also: 4,4'-bis(2-sulfostyryl)biphenyl, disodium salt (annotation moved to); Disodium distyrylbiphenyl disulfonate (annotation moved to).

CAS Number	27344-41-8
PubChem CID	5332133
IUPAC Name	disodium;2-[(E)-2-[4-[4-[(E)-2-(2-sulfonatophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonate
Molecular Formula	C28H20Na2O6S2
Molecular Weight	562.6
Topological Polar Surface Area	131
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	38
Formal Charge	0
Complexity	852

SMILES

C1=CC=C(C(=C1)/C=C/C2=CC=C(C=C2)C3=CC=C(C=C3)/C=C/C4=CC=CC=C4S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C28H22O6S2.2Na/c29-35(30,31)27-7-3-1-5-25(27)19-13-21-9-15-23(16-10-21)24-17-11-22(12-18-24)14-20-26-6-2-4-8-28(26)36(32,33)34;;/h1-20H,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b19-13+,20-14+;;

InChIKey

PMPJQLCPEQFEJW-HPKCLRQXSA-L

Chemical Structure

2D Structure

CAS: 27344-41-8

CID: 5332133

Formula: C28H20Na2O6S2

MW: 562.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	562.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	562.04966926
Monoisotopic Mass	562.04966926
Topological Polar Surface Area	131 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	852
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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