sodium 3-nitro-4-phenyl-5-(phenylmethylsulfanyl)benzoate

Systemtic Name: sodium 3-nitro-4-phenyl-5-(phenylmethylsulfanyl)benzoate Openeye Name: sodium 3-benzylsulfanyl-5-nitro-4-phenyl-benzoate CAS Name: sodium 3-nitro-4-phenyl-5-(phenylmethylthio)benzoate IUPAC Name: sodium 3-benzylsulfanyl-5-nitro-4-phenylbenzoate Traditional Name: sodium 3-(benzylthio)-5-nitro-4-phenyl-benzoate Formula: C20H14NNaO4S MolecularWeight: 387.38423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=CC(=C2C3=CC=CC=C3)[N+](=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=CC(=C2C3=CC=CC=C3)[N+](=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C20H15NO4S.Na/c22-20(23)16-11-17(21(24)25)19(15-9-5-2-6-10-15)18(12-16)26-13-14-7-3-1-4-8-14;/h1-12H,13H2,(H,22,23);/q;+1/p-1