[[3,5-bis(trifluoromethyl)phenyl]-methoxycarbonyl-amino]methanesulfonic acid

Systemtic Name: [[3,5-bis(trifluoromethyl)phenyl]-methoxycarbonyl-amino]methanesulfonic acid Openeye Name: [N-methoxycarbonyl-3,5-bis(trifluoromethyl)anilino]methanesulfonic acid CAS Name: [N-methoxycarbonyl-3,5-bis(trifluoromethyl)anilino]methanesulfonic acid IUPAC Name: [N-methoxycarbonyl-3,5-bis(trifluoromethyl)anilino]methanesulfonic acid Traditional Name: [N-carbomethoxy-3,5-bis(trifluoromethyl)anilino]methanesulfonic acid Formula: C11H9F6NO5S MolecularWeight: 381.248279

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(CS(=O)(=O)O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)N(CS(=O)(=O)O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C11H9F6NO5S/c1-23-9(19)18(5-24(20,21)22)8-3-6(10(12,13)14)2-7(4-8)11(15,16)17/h2-4H,5H2,1H3,(H,20,21,22)