Name: Sulfo-Cyanine7 maleimide potassium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848976
Cas No:2183440-60-8
常用名:Sulfo-Cyanine7 maleimide potassium
常用名:Sulfo-Cyanine7 maleimide potassium
IUPAC:potassium 1-(5-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]carbamoyl}pentyl)-3,3-dimethyl-2-[(1E)-2-[(3E)-3-{2-[(2Z)-1,3,3-trimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3H-indol-1-ium-5-sulfonate
IUPAC:potassium 1-(5-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]carbamoyl}pentyl)-3,3-dimethyl-2-[(1E)-2-[(3E)-3-{2-[(2Z)-1,3,3-trimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3H-indol-1-ium-5-sulfonate
InChI key:DCHMQIBWFDNWAF-UHFFFAOYSA-M

分子式:C43H49KN4O9S2
分子量:869.1
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[K+].CN1\C(=C/C=C2\CCCC(\C=C\C3=[N+](CCCCCC(=O)NCCN4C(=O)C=CC4=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
SMILES:[K+].CN1\C(=C/C=C2\CCCC(\C=C\C3=[N+](CCCCCC(=O)NCCN4C(=O)C=CC4=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2)C(C)(C)c2cc(ccc12)S([O-])(=O)=O

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