5-methyl-2-nitro-benzenecarbothioic S-acid

Systemtic Name: 5-methyl-2-nitro-benzenecarbothioic S-acid Openeye Name: 5-methyl-2-nitro-benzenecarbothioic S-acid CAS Name: 5-methyl-2-nitrobenzenecarbothioic S-acid IUPAC Name: 5-methyl-2-nitrobenzenecarbothioic S-acid Traditional Name: 5-methyl-2-nitro-thiobenzoic acid Formula: C8H7NO3S MolecularWeight: 197.21108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)S

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)S

InChI

InChI=1S/C8H7NO3S/c1-5-2-3-7(9(11)12)6(4-5)8(10)13/h2-4H,1H3,(H,10,13)