Name: Trisulfo-Cy5.5-Alkyne
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217585045
Cas No:2055046-12-1
常用名:Trisulfo-Cy5.5-Alkyne
IUPAC:2-(5-{3-ethyl-1,1-dimethyl-6,8-disulfo-1H,2H,3H-benzo[e]indol-2-ylidene}penta-1,3-dien-1-yl)-1,1-dimethyl-3-{5-[(prop-2-yn-1-yl)carbamoyl]pentyl}-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate
IUPAC:2-(5-{3-ethyl-1,1-dimethyl-6,8-disulfo-1H,2H,3H-benzo[e]indol-2-ylidene}penta-1,3-dien-1-yl)-1,1-dimethyl-3-{5-[(prop-2-yn-1-yl)carbamoyl]pentyl}-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate
InChI key:ORXCITITVUDFJM-UHFFFAOYSA-N

分子式:C44H47N3O13S4
分子量:954.11
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCN1C(=CC=CC=CC2=[N+](CCCCCC(=O)NCC#C)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:CCN1C(=CC=CC=CC2=[N+](CCCCCC(=O)NCC#C)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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