3-nitro-4-(phenylsulfinylmethyl)benzoic acid

Systemtic Name: 3-nitro-4-(phenylsulfinylmethyl)benzoic acid Openeye Name: 4-(benzenesulfinylmethyl)-3-nitro-benzoic acid CAS Name: 4-(benzenesulfinylmethyl)-3-nitrobenzoic acid IUPAC Name: 4-(benzenesulfinylmethyl)-3-nitrobenzoic acid Traditional Name: 4-(benzenesulfinylmethyl)-3-nitro-benzoic acid Formula: C14H11NO5S MolecularWeight: 305.30584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO5S/c16-14(17)10-6-7-11(13(8-10)15(18)19)9-21(20)12-4-2-1-3-5-12/h1-8H,9H2,(H,16,17)