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PIC

概要
表記:6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID
組成式:C12 H9 F2 O5 P
電荷:0
化学式量:302.167 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.046-[difluoro(phosphono)methyl]naphthalene-2-carboxylic acid
OpenEye OEToolkits1.5.06-(difluoro-phosphono-methyl)naphthalene-2-carboxylic acid

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04FC(F)(c2ccc1c(ccc(c1)C(=O)O)c2)P(=O)(O)O
SMILES_CANONICALCACTVS3.341OC(=O)c1ccc2cc(ccc2c1)C(F)(F)[P](O)(O)=O
SMILESCACTVS3.341OC(=O)c1ccc2cc(ccc2c1)C(F)(F)[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O
InChIInChI1.03InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)
InChIKeyInChI1.03NKGNOWNPXBURRW-UHFFFAOYSA-N

223166

件を2024-07-31に公開中

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