DiIC16(3)
HIT218847866
sdf文件结构编辑类似物检索
HIT ID: HIT218847866
Cas No: 84109-11-5
分子式: C55H89ClN2O4
分子量: 877.78
常用名: DiIC16(3)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-hexadecyl-2-[3-(1-hexadecyl-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-3H-indol-1-ium perchlorate
IUPAC: 1-hexadecyl-2-[3-(1-hexadecyl-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-3H-indol-1-ium perchlorate
SMILES: [O-][Cl](=O)(=O)=O.CCCCCCCCCCCCCCCCN1C(=CC=CC2=[N+](CCCCCCCCCCCCCCCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
SMILES: [O-][Cl](=O)(=O)=O.CCCCCCCCCCCCCCCCN1C(=CC=CC2=[N+](CCCCCCCCCCCCCCCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
InChI key: HBTWOEFPWHHORE-UHFFFAOYSA-M
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