(2S)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propanoic acid

Systemtic Name: (2S)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propanoic acid Openeye Name: (2S)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)propanoic acid CAS Name: (2S)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]propanoic acid IUPAC Name: (2S)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)propanoic acid Traditional Name: (2S)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)propionic acid Formula: C13H16N2O8S MolecularWeight: 360.33974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)O)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O8S/c1-9(13(16)17)23-12-3-2-10(8-11(12)15(18)19)24(20,21)14-4-6-22-7-5-14/h2-3,8-9H,4-7H2,1H3,(H,16,17)/t9-/m0/s1