2-[2-(4-nitrophenyl)sulfanylethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(4-nitrophenyl)sulfanylethanoylamino]terephthalic acid Openeye Name: 2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]terephthalic acid CAS Name: 2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]terephthalic acid Traditional Name: 2-[[2-[(4-nitrophenyl)thio]acetyl]amino]terephthalic acid Formula: C16H12N2O7S MolecularWeight: 376.34068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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