2-(4-nitrophenyl)carbonylsulfanylethanoic acid

Systemtic Name: 2-(4-nitrophenyl)carbonylsulfanylethanoic acid Openeye Name: 2-(4-nitrobenzoyl)sulfanylacetic acid CAS Name: 2-[[(4-nitrophenyl)-oxomethyl]thio]acetic acid IUPAC Name: 2-(4-nitrobenzoyl)sulfanylacetic acid Traditional Name: 2-[(4-nitrobenzoyl)thio]acetic acid Formula: C9H7NO5S MolecularWeight: 241.22058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO5S/c11-8(12)5-16-9(13)6-1-3-7(4-2-6)10(14)15/h1-4H,5H2,(H,11,12)