Cyanine7.5 carboxylic acid chloride
HIT218847800
sdf文件结构编辑类似物检索
HIT ID: HIT218847800
Cas No: 1803099-44-6
分子式: C45H49ClN2O2
分子量: 685.35
常用名: Cyanine7.5 carboxylic acid chloride
常用名: Cyanine7.5 carboxylic acid chloride
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-(5-carboxypentyl)-1,1-dimethyl-2-{2-[3-(2-{1,1,3-trimethyl-1H,2H,3H-benzo[e]indol-2-ylidene}ethylidene)cyclohex-1-en-1-yl]ethenyl}-1H-benzo[e]indol-3-ium chloride
IUPAC: 3-(5-carboxypentyl)-1,1-dimethyl-2-{2-[3-(2-{1,1,3-trimethyl-1H,2H,3H-benzo[e]indol-2-ylidene}ethylidene)cyclohex-1-en-1-yl]ethenyl}-1H-benzo[e]indol-3-ium chloride
SMILES: [Cl-].CN1C(=CC=C2CCCC(C=CC3=[N+](CCCCCC(O)=O)c4ccc5ccccc5c4C3(C)C)=C2)C(C)(C)c2c1ccc1ccccc21
SMILES: [Cl-].CN1C(=CC=C2CCCC(C=CC3=[N+](CCCCCC(O)=O)c4ccc5ccccc5c4C3(C)C)=C2)C(C)(C)c2c1ccc1ccccc21
InChI key: NENPZWGBKUDTPW-UHFFFAOYSA-N
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