2-[4-(methylamino)phenyl]sulfanylterephthalic acid

Systemtic Name: 2-[4-(methylamino)phenyl]sulfanylterephthalic acid Openeye Name: 2-[4-(methylamino)phenyl]sulfanylterephthalic acid CAS Name: 2-[[4-(methylamino)phenyl]thio]terephthalic acid IUPAC Name: 2-[4-(methylamino)phenyl]sulfanylterephthalic acid Traditional Name: 2-[[4-(methylamino)phenyl]thio]terephthalic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)SC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CNC1=CC=C(C=C1)SC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H13NO4S/c1-16-10-3-5-11(6-4-10)21-13-8-9(14(17)18)2-7-12(13)15(19)20/h2-8,16H,1H3,(H,17,18)(H,19,20)