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2-(4-cyano-2-nitro-phenyl)sulfanylbenzoic acid

2-(4-cyano-2-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name:2-(4-cyano-2-nitro-phenyl)sulfanylbenzoic acid
Openeye Name:2-(4-cyano-2-nitro-phenyl)sulfanylbenzoic acid
CAS Name:2-[(4-cyano-2-nitrophenyl)thio]benzoic acid
IUPAC Name:2-(4-cyano-2-nitrophenyl)sulfanylbenzoic acid
Traditional Name:2-[(4-cyano-2-nitro-phenyl)thio]benzoic acid
Formula: C14H8N2O4S
MolecularWeight: 300.28932
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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