2-methyl-2-(4-nitrophenyl)sulfanyl-propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)O)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

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