5-[(1S)-1-(4-nitrophenyl)sulfanylethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(1S)-1-(4-nitrophenyl)sulfanylethyl]furan-2-carboxylic acid Openeye Name: 5-[(1S)-1-(4-nitrophenyl)sulfanylethyl]furan-2-carboxylic acid CAS Name: 5-[(1S)-1-[(4-nitrophenyl)thio]ethyl]-2-furancarboxylic acid IUPAC Name: 5-[(1S)-1-(4-nitrophenyl)sulfanylethyl]furan-2-carboxylic acid Traditional Name: 5-[(1S)-1-[(4-nitrophenyl)thio]ethyl]-2-furoic acid Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO5S/c1-8(11-6-7-12(19-11)13(15)16)20-10-4-2-9(3-5-10)14(17)18/h2-8H,1H3,(H,15,16)/t8-/m0/s1