3-fluoranyl-2-methyl-aniline; (methyl-sulfinato-sulfo-azaniumyl)methane

Systemtic Name: 3-fluoranyl-2-methyl-aniline; (methyl-sulfinato-sulfo-azaniumyl)methane Openeye Name: 3-fluoro-2-methyl-aniline; (methyl-sulfinato-sulfo-ammonio)methane CAS Name: 3-fluoro-2-methylaniline; (methyl-sulfinato-sulfoammonio)methane IUPAC Name: 3-fluoro-2-methylaniline; (methyl-sulfinato-sulfoazaniumyl)methane Traditional Name: (3-fluoro-2-methyl-phenyl)amine; (methyl-sulfinato-sulfo-ammonio)methane Formula: C9H15FN2O5S2 MolecularWeight: 314.354203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1F)N.C[N+](C)(S(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC=C1F)N.C[N+](C)(S(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C7H8FN.C2H7NO5S2/c1-5-6(8)3-2-4-7(5)9;1-3(2,9(4)5)10(6,7)8/h2-4H,9H2,1H3;1-2H3,(H-,4,5,6,7,8)