4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-benzoic acid

Systemtic Name: 4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-benzoic acid Openeye Name: 4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-benzoic acid CAS Name: 4-[(3-fluorophenyl)methylsulfonyl]-3-nitrobenzoic acid IUPAC Name: 4-[(3-fluorophenyl)methylsulfonyl]-3-nitrobenzoic acid Traditional Name: 4-(3-fluorobenzyl)sulfonyl-3-nitro-benzoic acid Formula: C14H10FNO6S MolecularWeight: 339.295703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)F)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H10FNO6S/c15-11-3-1-2-9(6-11)8-23(21,22)13-5-4-10(14(17)18)7-12(13)16(19)20/h1-7H,8H2,(H,17,18)