AG008WK9

Name: 2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3h-indolium inner salt sodium salt
Brand: Angene Chemical
SKU: AG008WK9

120724-84-7 | 2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3h-indolium inner salt sodium salt

Chemical structure of 2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3h-indolium inner salt sodium salt, CAS 120724-84-7

AG008WK9

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CAS Number	120724-84-7
Catalog Number	AG008WK9(AGN-PC-0PF2OZ)
Chemical Name	2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3h-indolium inner salt sodium salt
IUPAC Name	sodium;4-[(2E)-2-[3-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate
InChI	InChI=1S/C31H40N2O6S2.Na/c1-30(2)24-14-5-7-16-26(24)32(20-9-11-22-40(34,35)36)28(30)18-13-19-29-31(3,4)25-15-6-8-17-27(25)33(29)21-10-12-23-41(37,38)39;/h5-8,13-19H,9-12,20-23H2,1-4H3,(H-,34,35,36,37,38,39);/q;+1/p-1
InChI Key	SBQIZSUJAUKSIJ-UHFFFAOYSA-M
MDL Number	MFCD16621066
Molecular Formula	C31H39N2NaO6S2
Molecular Weight	622.7709
SMILES	[Na+].CC1(C)C(=CC=CC2=[N+](CCCCS([O-])(=O)=O)C3=C(C=CC=C3)C2(C)C)N(CCCCS([O-])(=O)=O)C2=C1C=CC=C2
Synonyms	3,3,3',3'-Tetramethyl-1,1'-bis(4-sulfobutyl)indocarbocyanine Sodium Salt, 120724-84-7, D4464, 2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium Hydroxide Inner Salt Sodium Salt, 3-[3,3-Dimethyl-1-(4-sulfonatobutyl)indolin-2-ylidene]-1-[3,3-dimethyl-1-(4-sulfonatobutyl)indolium-2-yl]-1,

Complexity	1120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	622.215g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	622.771g/mol
Monoisotopic Mass	622.215g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	137A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	1

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited