2-[2-(2-nitrophenyl)sulfanylethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(2-nitrophenyl)sulfanylethanoylamino]terephthalic acid Openeye Name: 2-[[2-(2-nitrophenyl)sulfanylacetyl]amino]terephthalic acid CAS Name: 2-[[2-[(2-nitrophenyl)thio]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(2-nitrophenyl)sulfanylacetyl]amino]terephthalic acid Traditional Name: 2-[[2-[(2-nitrophenyl)thio]acetyl]amino]terephthalic acid Formula: C16H12N2O7S MolecularWeight: 376.34068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12N2O7S/c19-14(8-26-13-4-2-1-3-12(13)18(24)25)17-11-7-9(15(20)21)5-6-10(11)16(22)23/h1-7H,8H2,(H,17,19)(H,20,21)(H,22,23)