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Cyanine7 dicarboxylic acid

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Product Introduction

Cyanine7 dicarboxylic acid is a bifunctional dye molecule bearing two carboxylic groups. Cyanine7 possesses near infrared fluorescence.

Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	6-[2-[2-[3-[2-[1-(6-hydroxyhexyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;chloride
Canonical SMILES	CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC(=CC=C4C(C5=CC=CC=C5N4CCCCCCO)(C)C)CCC3)CCCCCC(=O)O)C.[Cl-]
InChI	InChI=1S/C42H54N2O3.ClH/c1-41(2)34-19-9-11-21-36(34)43(28-13-5-6-15-30-45)38(41)26-24-32-17-16-18-33(31-32)25-27-39-42(3,4)35-20-10-12-22-37(35)44(39)29-14-7-8-23-40(46)47;/h9-12,19-22,24-27,31,45H,5-8,13-18,23,28-30H2,1-4H3;1H
InChIKey	YPBICWHIZGPJNG-UHFFFAOYSA-N
Solubility	good in DCM, DMF, DMSO
Appearance	dark green solid

ε, L⋅mol-1⋅cm-1	199000
Fluorescence Quantum Yield	0.3
Excitation	750
Emission	773
Storage	24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate.

Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	15
Exact Mass	670.3901213 g/mol
Monoisotopic Mass	670.3901213 g/mol
Topological Polar Surface Area	63.8Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1230
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

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