4-(2-cyano-4-nitro-phenyl)sulfanylbenzoate

Systemtic Name: 4-(2-cyano-4-nitro-phenyl)sulfanylbenzoate Openeye Name: 4-(2-cyano-4-nitro-phenyl)sulfanylbenzoate CAS Name: 4-[(2-cyano-4-nitrophenyl)thio]benzoate IUPAC Name: 4-(2-cyano-4-nitrophenyl)sulfanylbenzoate Traditional Name: 4-[(2-cyano-4-nitro-phenyl)thio]benzoate Formula: C14H7N2O4S- MolecularWeight: 299.28138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H8N2O4S/c15-8-10-7-11(16(19)20)3-6-13(10)21-12-4-1-9(2-5-12)14(17)18/h1-7H,(H,17,18)/p-1