2-[(3-fluoranyl-4-nitroso-phenyl)-(2-hydroxyethyl)amino]ethanol; methanesulfonic acid

Systemtic Name: 2-[(3-fluoranyl-4-nitroso-phenyl)-(2-hydroxyethyl)amino]ethanol; methanesulfonic acid Openeye Name: 2-[3-fluoro-N-(2-hydroxyethyl)-4-nitroso-anilino]ethanol; methanesulfonic acid CAS Name: 2-[3-fluoro-N-(2-hydroxyethyl)-4-nitrosoanilino]ethanol; methanesulfonic acid IUPAC Name: 2-[3-fluoro-N-(2-hydroxyethyl)-4-nitrosoanilino]ethanol; methanesulfonic acid Traditional Name: 2-[3-fluoro-N-(2-hydroxyethyl)-4-nitroso-anilino]ethanol; mesylic acid Formula: C12H21FN2O9S2 MolecularWeight: 420.431543

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=C(C=C1N(CCO)CCO)F)N=O

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=C(C=C1N(CCO)CCO)F)N=O

InChI

InChI=1S/C10H13FN2O3.2CH4O3S/c11-9-7-8(1-2-10(9)12-16)13(3-5-14)4-6-15;2*1-5(2,3)4/h1-2,7,14-15H,3-6H2;2*1H3,(H,2,3,4)