2-(2-methyl-3-sulfanyl-propanoyl)oxy-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-(2-methyl-3-sulfanyl-propanoyl)oxy-3-(4-nitrophenyl)propanoic acid Openeye Name: 2-(2-methyl-3-sulfanyl-propanoyl)oxy-3-(4-nitrophenyl)propanoic acid CAS Name: 2-(3-mercapto-2-methyl-1-oxopropoxy)-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-(2-methyl-3-sulfanylpropanoyl)oxy-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-(3-mercapto-2-methyl-propanoyl)oxy-3-(4-nitrophenyl)propionic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6S/c1-8(7-21)13(17)20-11(12(15)16)6-9-2-4-10(5-3-9)14(18)19/h2-5,8,11,21H,6-7H2,1H3,(H,15,16)