(2S,3S)-4-nitro-3-(4-nitrophenyl)-2-sulfanyl-butanoic acid

Systemtic Name: (2S,3S)-4-nitro-3-(4-nitrophenyl)-2-sulfanyl-butanoic acid Openeye Name: (2S,3S)-4-nitro-3-(4-nitrophenyl)-2-sulfanyl-butanoic acid CAS Name: (2S,3S)-2-mercapto-4-nitro-3-(4-nitrophenyl)butanoic acid IUPAC Name: (2S,3S)-4-nitro-3-(4-nitrophenyl)-2-sulfanylbutanoic acid Traditional Name: (2S,3S)-2-mercapto-4-nitro-3-(4-nitrophenyl)butyric acid Formula: C10H10N2O6S MolecularWeight: 286.2612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C[N+](=O)[O-])C(C(=O)O)S)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O6S/c13-10(14)9(19)8(5-11(15)16)6-1-3-7(4-2-6)12(17)18/h1-4,8-9,19H,5H2,(H,13,14)/t8-,9+/m1/s1