Name: Cy5.5
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214432489
Cas No:210892-23-2
常用名:Cy5.5
IUPAC:2-{5-[3-(5-carboxypentyl)-1,1-dimethyl-6,8-disulfo-1H,2H,3H-benzo[e]indol-2-ylidene]penta-1,3-dien-1-yl}-3-ethyl-1,1-dimethyl-6-sulfo-1H-benzo[e]indol-3-ium-8-sulfonate
IUPAC:2-{5-[3-(5-carboxypentyl)-1,1-dimethyl-6,8-disulfo-1H,2H,3H-benzo[e]indol-2-ylidene]penta-1,3-dien-1-yl}-3-ethyl-1,1-dimethyl-6-sulfo-1H-benzo[e]indol-3-ium-8-sulfonate
InChI key:LIZDKDDCWIEQIN-UHFFFAOYSA-N

分子式:C41H44N2O14S4
分子量:917.04
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[N+]1=C(C=CC=CC=C2N(CCCCCC(O)=O)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S(O)(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S([O-])(=O)=O)S(O)(=O)=O
SMILES:CC[N+]1=C(C=CC=CC=C2N(CCCCCC(O)=O)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S(O)(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S([O-])(=O)=O)S(O)(=O)=O

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