3-[(2,4-dinitrophenyl)amino]sulfanylcarbonyloxirane-2-carboxylic acid

Systemtic Name: 3-[(2,4-dinitrophenyl)amino]sulfanylcarbonyloxirane-2-carboxylic acid Openeye Name: 3-(2,4-dinitroanilino)sulfanylcarbonyloxirane-2-carboxylic acid CAS Name: 3-[[(2,4-dinitroanilino)thio]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-(2,4-dinitroanilino)sulfanylcarbonyloxirane-2-carboxylic acid Traditional Name: 3-[(2,4-dinitroanilino)thio]carbonyloxirane-2-carboxylic acid Formula: C10H7N3O8S MolecularWeight: 329.24288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NSC(=O)C2C(O2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NSC(=O)C2C(O2)C(=O)O

InChI

InChI=1S/C10H7N3O8S/c14-9(15)7-8(21-7)10(16)22-11-5-2-1-4(12(17)18)3-6(5)13(19)20/h1-3,7-8,11H,(H,14,15)