3-(2-methyl-5-nitro-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(2-methyl-5-nitro-phenyl)sulfanylpropanoic acid Openeye Name: 3-(2-methyl-5-nitro-phenyl)sulfanylpropanoic acid CAS Name: 3-[(2-methyl-5-nitrophenyl)thio]propanoic acid IUPAC Name: 3-(2-methyl-5-nitrophenyl)sulfanylpropanoic acid Traditional Name: 3-[(2-methyl-5-nitro-phenyl)thio]propionic acid Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4S/c1-7-2-3-8(11(14)15)6-9(7)16-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)