IR-7
HIT218848323
sdf文件结构编辑类似物检索
HIT ID: HIT218848323
Cas No: 1895075-45-2
分子式: C50H52BrClN2O6
分子量: 892.33
常用名: IR-7
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[3-(4-carboxyphenoxy)propyl]-2-{2-[3-(2-{1-[3-(4-carboxyphenoxy)propyl]-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene}ethylidene)-2-chlorocyclohex-1-en-1-yl]ethenyl}-3,3-dimethyl-3H-indol-1-ium bromide
IUPAC: 1-[3-(4-carboxyphenoxy)propyl]-2-{2-[3-(2-{1-[3-(4-carboxyphenoxy)propyl]-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene}ethylidene)-2-chlorocyclohex-1-en-1-yl]ethenyl}-3,3-dimethyl-3H-indol-1-ium bromide
SMILES: [Br-].CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCOc4ccc(cc4)C(O)=O)c4ccccc4C3(C)C)=C2Cl)N(CCCOc2ccc(cc2)C(O)=O)c2ccccc12
SMILES: [Br-].CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCOc4ccc(cc4)C(O)=O)c4ccccc4C3(C)C)=C2Cl)N(CCCOc2ccc(cc2)C(O)=O)c2ccccc12
InChI key: AOSKOPYJWNYUFA-UHFFFAOYSA-N
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