2-methyl-5-nitro-4-[pentakis(fluoranyl)-$l^{6}-sulfanyl]benzoic acid

Systemtic Name: 2-methyl-5-nitro-4-[pentakis(fluoranyl)-$l^{6}-sulfanyl]benzoic acid Openeye Name: 2-methyl-5-nitro-4-(pentafluoro-$l^{6}-sulfanyl)benzoic acid CAS Name: 2-methyl-5-nitro-4-(pentafluoro-$l^{6}-sulfanyl)benzoic acid IUPAC Name: 2-methyl-5-nitro-4-(pentafluoro-$l^{6}-sulfanyl)benzoic acid Traditional Name: 2-methyl-5-nitro-4-pentafluoropersulfuranyl-benzoic acid Formula: C8H6F5NO4S MolecularWeight: 307.194556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])S(F)(F)(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])S(F)(F)(F)(F)F

InChI

InChI=1S/C8H6F5NO4S/c1-4-2-7(19(9,10,11,12)13)6(14(17)18)3-5(4)8(15)16/h2-3H,1H3,(H,15,16)