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

Systemtic Name: 2-(2-cyano-4-nitro-phenyl)sulfanylethanoic acid Openeye Name: 2-(2-cyano-4-nitro-phenyl)sulfanylacetic acid CAS Name: 2-[(2-cyano-4-nitrophenyl)thio]acetic acid IUPAC Name: 2-(2-cyano-4-nitrophenyl)sulfanylacetic acid Traditional Name: 2-[(2-cyano-4-nitro-phenyl)thio]acetic acid Formula: C9H6N2O4S MolecularWeight: 238.21994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O4S/c10-4-6-3-7(11(14)15)1-2-8(6)16-5-9(12)13/h1-3H,5H2,(H,12,13)