3-methyl-2-[(4-nitrophenyl)sulfanylmethyl]butanoic acid

Systemtic Name: 3-methyl-2-[(4-nitrophenyl)sulfanylmethyl]butanoic acid Openeye Name: 3-methyl-2-[(4-nitrophenyl)sulfanylmethyl]butanoic acid CAS Name: 3-methyl-2-[[(4-nitrophenyl)thio]methyl]butanoic acid IUPAC Name: 3-methyl-2-[(4-nitrophenyl)sulfanylmethyl]butanoic acid Traditional Name: 3-methyl-2-[[(4-nitrophenyl)thio]methyl]butyric acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CSC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)C(CSC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-8(2)11(12(14)15)7-18-10-5-3-9(4-6-10)13(16)17/h3-6,8,11H,7H2,1-2H3,(H,14,15)