Name: cy5-bifunctional dye; triethylamine
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT220806635
Cas No:
常用名:cy5-bifunctional dye; triethylamine
常用名:cy5-bifunctional dye; triethylamine
IUPAC:triethylamine 1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-[5-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
IUPAC:triethylamine 1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-[5-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
InChI key:InChIKey=XROFYTQSLVFTFN-UHFFFAOYSA-N

分子式:C51H67N5O14S2
分子量:1038.24
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCN(CC)CC.CC1(C)C(=CC=CC=CC2=[N+](CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)N(CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(cc12)S(O)(=O)=O
SMILES:CCN(CC)CC.CC1(C)C(=CC=CC=CC2=[N+](CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)N(CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(cc12)S(O)(=O)=O

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