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ROS

概要
表記:N,N'-TETRAMETHYL-ROSAMINE
別名:(6-DIMETHYLAMINO-9-PHENYL-XANTHEN-3-YLIDENE)-DIMETHYL-AMMONIUM
組成式:C23 H23 N2 O
電荷:1
化学式量:343.442 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.04N-[6-(dimethylamino)-9-phenyl-3H-xanthen-3-ylidene]-N-methylmethanaminium
OpenEye OEToolkits1.5.0(6-dimethylamino-9-phenyl-xanthen-3-ylidene)-dimethyl-azanium

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04O2c1cc(ccc1C(=C3C2=CC(=[N+](/C)C)\C=C3)c4ccccc4)N(C)C
SMILES_CANONICALCACTVS3.341CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccccc4)=[N+](C)C)c1
SMILESCACTVS3.341CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccccc4)=[N+](C)C)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccccc4
SMILESOpenEye OEToolkits1.5.0CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccccc4
InChIInChI1.03InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1
InChIKeyInChI1.03NGSXFKKYKWBNPO-UHFFFAOYSA-N

220113

件を2024-05-22に公開中

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