2-methyl-3-nitro-5-sulfanyl-benzoic acid

Systemtic Name: 2-methyl-3-nitro-5-sulfanyl-benzoic acid Openeye Name: 2-methyl-3-nitro-5-sulfanyl-benzoic acid CAS Name: 5-mercapto-2-methyl-3-nitrobenzoic acid IUPAC Name: 2-methyl-3-nitro-5-sulfanylbenzoic acid Traditional Name: 5-mercapto-2-methyl-3-nitro-benzoic acid Formula: C8H7NO4S MolecularWeight: 213.21048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)O)S)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)O)S)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO4S/c1-4-6(8(10)11)2-5(14)3-7(4)9(12)13/h2-3,14H,1H3,(H,10,11)