BDP 581/591 carboxylic acid
HIT218847537
sdf文件结构编辑类似物检索
HIT ID: HIT218847537
Cas No: 480999-04-0
分子式: C22H19BF2N2O2
分子量: 392.21
常用名: BDP 581/591 carboxylic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: hydrogen 4-(2-carboxylatoethyl)-2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dien-1-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-(2-carboxylatoethyl)-2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dien-1-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)CCc1ccc2C=C3C=CC(\C=C\C=C\c4ccccc4)=[N+]3[B-](F)(F)n12
SMILES: [H+].[O-]C(=O)CCc1ccc2C=C3C=CC(\C=C\C=C\c4ccccc4)=[N+]3[B-](F)(F)n12
InChI key: BNURWCMGIJOEAC-KBXRYBNXSA-N
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