Sulfo-Cyanine5.5 amine potassium
HIT218848989
sdf文件结构编辑类似物检索
HIT ID: HIT218848989
Cas No: 2183440-46-0
分子式: C46H54K2N4O13S4
分子量: 1077.39
常用名: Sulfo-Cyanine5.5 amine potassium
常用名: Sulfo-Cyanine5.5 amine potassium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: dipotassium 2-[(1E,3E)-5-[(2E)-3-{5-[(6-aminohexyl)carbamoyl]pentyl}-1,1-dimethyl-6,8-disulfonato-1H,2H,3H-benzo[e]indol-2-ylidene]penta-1,3-dien-1-yl]-1,1,3-trimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate
IUPAC: dipotassium 2-[(1E,3E)-5-[(2E)-3-{5-[(6-aminohexyl)carbamoyl]pentyl}-1,1-dimethyl-6,8-disulfonato-1H,2H,3H-benzo[e]indol-2-ylidene]penta-1,3-dien-1-yl]-1,1,3-trimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate
SMILES: [K+].[K+].C[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)NCCCCCCN)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: [K+].[K+].C[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)NCCCCCCN)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
InChI key: UHRNSQDVKXPMOX-UHFFFAOYSA-L
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