2-(3-nitro-4-sulfanyl-phenyl)ethanoic acid

Systemtic Name: 2-(3-nitro-4-sulfanyl-phenyl)ethanoic acid Openeye Name: 2-(3-nitro-4-sulfanyl-phenyl)acetic acid CAS Name: 2-(4-mercapto-3-nitrophenyl)acetic acid IUPAC Name: 2-(3-nitro-4-sulfanylphenyl)acetic acid Traditional Name: 2-(4-mercapto-3-nitro-phenyl)acetic acid Formula: C8H7NO4S MolecularWeight: 213.21048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])S

Isomeric SMILES

C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])S

InChI

InChI=1S/C8H7NO4S/c10-8(11)4-5-1-2-7(14)6(3-5)9(12)13/h1-3,14H,4H2,(H,10,11)