3-nitro-4-phenylsulfanyl-benzoic acid

Systemtic Name: 3-nitro-4-phenylsulfanyl-benzoic acid Openeye Name: 3-nitro-4-phenylsulfanyl-benzoic acid CAS Name: 3-nitro-4-(phenylthio)benzoic acid IUPAC Name: 3-nitro-4-phenylsulfanylbenzoic acid Traditional Name: 3-nitro-4-(phenylthio)benzoic acid Formula: C13H9NO4S MolecularWeight: 275.27986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H9NO4S/c15-13(16)9-6-7-12(11(8-9)14(17)18)19-10-4-2-1-3-5-10/h1-8H,(H,15,16)