Name: NIR-641 N-succinimidyl ester
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848579
Cas No:190714-26-2
常用名:NIR-641 N-succinimidyl ester
IUPAC:2-[5-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium chloride
IUPAC:2-[5-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium chloride
InChI key:QNVXMFIPFKQFIP-UHFFFAOYSA-M

分子式:C37H44ClN3O4
分子量:630.23
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Cl-].CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)ON3C(=O)CCC3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
SMILES:[Cl-].CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)ON3C(=O)CCC3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12

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