BODIPY 558/568 C12
HIT217679852
sdf文件结构编辑类似物检索
HIT ID: HIT217679852
Cas No: 158757-84-7
分子式: C25H31BF2N2O2S
分子量: 472.4
常用名: BODIPY 558/568 C12
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: hydrogen 4-(11-carboxylatoundecyl)-2,2-difluoro-12-(thiophen-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC: hydrogen 4-(11-carboxylatoundecyl)-2,2-difluoro-12-(thiophen-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
SMILES: [H+].[O-]C(=O)CCCCCCCCCCCc1ccc2C=C3C=CC(c4cccs4)=[N+]3[B-](F)(F)n12
SMILES: [H+].[O-]C(=O)CCCCCCCCCCCc1ccc2C=C3C=CC(c4cccs4)=[N+]3[B-](F)(F)n12
InChI key: PHUIDILRCYWCMI-UHFFFAOYSA-N
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