(2S,4S)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-(6-nitro-1,3-benzodioxol-5-yl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-(6-nitro-1,3-benzodioxol-5-yl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-(6-nitro-1,3-benzodioxol-5-yl)thiazolidin-3-ium-4-carboxylate Formula: C11H10N2O6S MolecularWeight: 298.2719

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([NH2+][C@@H](S1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)[O-]

InChI

InChI=1S/C11H10N2O6S/c14-11(15)6-3-20-10(12-6)5-1-8-9(19-4-18-8)2-7(5)13(16)17/h1-2,6,10,12H,3-4H2,(H,14,15)/t6-,10+/m1/s1