Name: CY5 triethylamine salt
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214403176
Cas No:
常用名:CY5 triethylamine salt
别名:CY5 triethylamine salt(146368-11-8 Free base)
别名:CY5 triethylamine salt(146368-11-8 Free base)
IUPAC:1-(5-carboxypentyl)-2-[(1E,3E)-5-[(2E)-1-ethyl-3,3-dimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium; triethylamine
IUPAC:1-(5-carboxypentyl)-2-[(1E,3E)-5-[(2E)-1-ethyl-3,3-dimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium; triethylamine
InChI key:VSINJOOHCKRFTE-UHFFFAOYSA-N

分子式:C39H55N3O8S2
分子量:758
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCN(CC)CC.CCN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(O)=O)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O |c:15|
SMILES:CCN(CC)CC.CCN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(O)=O)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O |c:15|

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