2-(4-methanoylphenyl)sulfanyl-2-nitro-ethanoic acid

Systemtic Name: 2-(4-methanoylphenyl)sulfanyl-2-nitro-ethanoic acid Openeye Name: 2-(4-formylphenyl)sulfanyl-2-nitro-acetic acid CAS Name: 2-[(4-formylphenyl)thio]-2-nitroacetic acid IUPAC Name: 2-(4-formylphenyl)sulfanyl-2-nitroacetic acid Traditional Name: 2-[(4-formylphenyl)thio]-2-nitro-acetic acid Formula: C9H7NO5S MolecularWeight: 241.22058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)SC(C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=O)SC(C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H7NO5S/c11-5-6-1-3-7(4-2-6)16-8(9(12)13)10(14)15/h1-5,8H,(H,12,13)