2-acetamido-3-(3,4-dinitrophenyl)sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(3,4-dinitrophenyl)sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(3,4-dinitrophenyl)sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[(3,4-dinitrophenyl)thio]propanoic acid IUPAC Name: 2-acetamido-3-(3,4-dinitrophenyl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(3,4-dinitrophenyl)thio]propionic acid Formula: C11H11N3O7S MolecularWeight: 329.28594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O7S/c1-6(15)12-8(11(16)17)5-22-7-2-3-9(13(18)19)10(4-7)14(20)21/h2-4,8H,5H2,1H3,(H,12,15)(H,16,17)