4-nitro-3-(sulfanylmethyl)benzoic acid

Systemtic Name: 4-nitro-3-(sulfanylmethyl)benzoic acid Openeye Name: 4-nitro-3-(sulfanylmethyl)benzoic acid CAS Name: 3-(mercaptomethyl)-4-nitrobenzoic acid IUPAC Name: 4-nitro-3-(sulfanylmethyl)benzoic acid Traditional Name: 3-(mercaptomethyl)-4-nitro-benzoic acid Formula: C8H7NO4S MolecularWeight: 213.21048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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