Sulfo-Cy7 alkyne

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Catalog Number	CCR2183440562
CAS	2183440-56-2
IUPAC Name	Potassium;(2Z)-3,3-dimethyl-1-[6-oxo-6-(prop-2-ynylamino)hexyl]-2-[(2Z)-2-[3-[(E)-2-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole-5-sulfonate
Molecular Weight	786.06
Molecular Formula	C40H48KN3O7S2
Canonical SMILES	CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC3=CC(=CC=C4C(C5=C(N4CCCCCC(=O)NCC#C)C=CC(=C5)S(=O)(=O)[O-])(C)C)CCC3)C)C.[K+]
InChI	InChI=1S/C40H47N3O7S2.K/c1-7-23-41-38(44)14-9-8-10-24-43-35-20-18-31(52(48,49)50)27-33(35)40(4,5)37(43)22-16-29-13-11-12-28(25-29)15-21-36-39(2,3)32-26-30(51(45,46)47)17-19-34(32)42(36)6;/h1,15-22,25-27H,8-14,23-24H2,2-6H3,(H2-,41,44,45,46,47,48,49,50);/q;+1/p-1
InChI Key	BHUOSGHGWGCWQE-UHFFFAOYSA-M
Purity	95%
Solubility	Soluble in DMF, DMSO, water
Application	CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Storage	-20 °C
Complexity	1770
Exact Mass	783.24142465
Isomeric SMILES	CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C3=C/C(=C\C=C/4\C(C5=C(N4CCCCCC(=O)NCC#C)C=CC(=C5)S(=O)(=O)[O-])(C)C)/CCC3)C)C.[K+]
Monoisotopic Mass	783.24142465
Topological Polar Surface Area	167Å²

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