3-nitro-4-phenylsulfanyl-5-pyrrol-1-ylsulfonyl-benzoic acid

Systemtic Name: 3-nitro-4-phenylsulfanyl-5-pyrrol-1-ylsulfonyl-benzoic acid Openeye Name: 3-nitro-4-phenylsulfanyl-5-pyrrol-1-ylsulfonyl-benzoic acid CAS Name: 3-nitro-4-(phenylthio)-5-(1-pyrrolylsulfonyl)benzoic acid IUPAC Name: 3-nitro-4-phenylsulfanyl-5-pyrrol-1-ylsulfonylbenzoic acid Traditional Name: 3-nitro-4-(phenylthio)-5-pyrrol-1-ylsulfonyl-benzoic acid Formula: C17H12N2O6S2 MolecularWeight: 404.41698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)N3C=CC=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)N3C=CC=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O6S2/c20-17(21)12-10-14(19(22)23)16(26-13-6-2-1-3-7-13)15(11-12)27(24,25)18-8-4-5-9-18/h1-11H,(H,20,21)