2-(3-methyl-4-nitro-phenyl)sulfanylpropanoic acid

Systemtic Name: 2-(3-methyl-4-nitro-phenyl)sulfanylpropanoic acid Openeye Name: 2-(3-methyl-4-nitro-phenyl)sulfanylpropanoic acid CAS Name: 2-[(3-methyl-4-nitrophenyl)thio]propanoic acid IUPAC Name: 2-(3-methyl-4-nitrophenyl)sulfanylpropanoic acid Traditional Name: 2-[(3-methyl-4-nitro-phenyl)thio]propionic acid Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4S/c1-6-5-8(16-7(2)10(12)13)3-4-9(6)11(14)15/h3-5,7H,1-2H3,(H,12,13)