(2R)-2-acetamido-3-(2,4-dinitrophenyl)sulfanyl-propanoate

Systemtic Name: (2R)-2-acetamido-3-(2,4-dinitrophenyl)sulfanyl-propanoate Openeye Name: (2R)-2-acetamido-3-(2,4-dinitrophenyl)sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[(2,4-dinitrophenyl)thio]propanoate IUPAC Name: (2R)-2-acetamido-3-(2,4-dinitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[(2,4-dinitrophenyl)thio]propionate Formula: C11H10N3O7S- MolecularWeight: 328.278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O7S/c1-6(15)12-8(11(16)17)5-22-10-3-2-7(13(18)19)4-9(10)14(20)21/h2-4,8H,5H2,1H3,(H,12,15)(H,16,17)/p-1/t8-/m0/s1