(2R)-2-[(2,4-dinitrophenyl)amino]-3-sulfo-propanoic acid

Systemtic Name: (2R)-2-[(2,4-dinitrophenyl)amino]-3-sulfo-propanoic acid Openeye Name: (2R)-2-(2,4-dinitroanilino)-3-sulfo-propanoic acid CAS Name: (2R)-2-(2,4-dinitroanilino)-3-sulfopropanoic acid IUPAC Name: (2R)-2-(2,4-dinitroanilino)-3-sulfopropanoic acid Traditional Name: (2R)-2-(2,4-dinitroanilino)-3-sulfo-propionic acid Formula: C9H9N3O9S MolecularWeight: 335.24746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O9S/c13-9(14)7(4-22(19,20)21)10-6-2-1-5(11(15)16)3-8(6)12(17)18/h1-3,7,10H,4H2,(H,13,14)(H,19,20,21)/t7-/m0/s1