2-(4-methylphenyl)-2-nitro-2-sulfanyl-ethanoic acid

Systemtic Name: 2-(4-methylphenyl)-2-nitro-2-sulfanyl-ethanoic acid Openeye Name: 2-nitro-2-(p-tolyl)-2-sulfanyl-acetic acid CAS Name: 2-mercapto-2-(4-methylphenyl)-2-nitroacetic acid IUPAC Name: 2-(4-methylphenyl)-2-nitro-2-sulfanylacetic acid Traditional Name: 2-mercapto-2-nitro-2-(p-tolyl)acetic acid Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO4S/c1-6-2-4-7(5-3-6)9(15,8(11)12)10(13)14/h2-5,15H,1H3,(H,11,12)