2-(5-methyl-2-nitro-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(5-methyl-2-nitro-phenyl)sulfanylethanoic acid Openeye Name: 2-(5-methyl-2-nitro-phenyl)sulfanylacetic acid CAS Name: 2-[(5-methyl-2-nitrophenyl)thio]acetic acid IUPAC Name: 2-(5-methyl-2-nitrophenyl)sulfanylacetic acid Traditional Name: 2-[(5-methyl-2-nitro-phenyl)thio]acetic acid Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO4S/c1-6-2-3-7(10(13)14)8(4-6)15-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)