2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(4-methylsulfanyl-3-nitro-benzoyl)amino]terephthalic acid CAS Name: 2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(4-methylsulfanyl-3-nitrobenzoyl)amino]terephthalic acid Traditional Name: 2-[[4-(methylthio)-3-nitro-benzoyl]amino]terephthalic acid Formula: C16H12N2O7S MolecularWeight: 376.34068

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O7S/c1-26-13-5-3-8(7-12(13)18(24)25)14(19)17-11-6-9(15(20)21)2-4-10(11)16(22)23/h2-7H,1H3,(H,17,19)(H,20,21)(H,22,23)