CY5 triethylamine salt
HIT214403176
sdf文件结构编辑类似物检索
HIT ID: HIT214403176
Cas No: T15025L
分子式: C39H55N3O8S2
分子量: 758
常用名: CY5 triethylamine salt
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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|
InChI key: VSINJOOHCKRFTE-UHFFFAOYSA-N
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