2,2-dimethyl-3-(4-nitrophenyl)sulfanyl-propanoic acid

Systemtic Name: 2,2-dimethyl-3-(4-nitrophenyl)sulfanyl-propanoic acid Openeye Name: 2,2-dimethyl-3-(4-nitrophenyl)sulfanyl-propanoic acid CAS Name: 2,2-dimethyl-3-[(4-nitrophenyl)thio]propanoic acid IUPAC Name: 2,2-dimethyl-3-(4-nitrophenyl)sulfanylpropanoic acid Traditional Name: 2,2-dimethyl-3-[(4-nitrophenyl)thio]propionic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S/c1-11(2,10(13)14)7-17-9-5-3-8(4-6-9)12(15)16/h3-6H,7H2,1-2H3,(H,13,14)