S-methyl 5-methyl-2-nitro-benzenecarbothioate

Systemtic Name: S-methyl 5-methyl-2-nitro-benzenecarbothioate Openeye Name: S-methyl 5-methyl-2-nitro-benzenecarbothioate CAS Name: 5-methyl-2-nitrobenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 5-methyl-2-nitrobenzenecarbothioate Traditional Name: 5-methyl-2-nitro-thiobenzoic acid S-methyl ester Formula: C9H9NO3S MolecularWeight: 211.23766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO3S/c1-6-3-4-8(10(12)13)7(5-6)9(11)14-2/h3-5H,1-2H3