2-(2-phenylsulfanylethanoylamino)terephthalic acid

Systemtic Name: 2-(2-phenylsulfanylethanoylamino)terephthalic acid Openeye Name: 2-[(2-phenylsulfanylacetyl)amino]terephthalic acid CAS Name: 2-[[1-oxo-2-(phenylthio)ethyl]amino]terephthalic acid IUPAC Name: 2-[(2-phenylsulfanylacetyl)amino]terephthalic acid Traditional Name: 2-[[2-(phenylthio)acetyl]amino]terephthalic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H13NO5S/c18-14(9-23-11-4-2-1-3-5-11)17-13-8-10(15(19)20)6-7-12(13)16(21)22/h1-8H,9H2,(H,17,18)(H,19,20)(H,21,22)