4-(3-cyano-4-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name: 4-(3-cyano-4-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 4-(3-cyano-4-nitro-phenyl)sulfanylbenzoic acid CAS Name: 4-[(3-cyano-4-nitrophenyl)thio]benzoic acid IUPAC Name: 4-(3-cyano-4-nitrophenyl)sulfanylbenzoic acid Traditional Name: 4-[(3-cyano-4-nitro-phenyl)thio]benzoic acid Formula: C14H8N2O4S MolecularWeight: 300.28932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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