2-(4-morpholin-4-ylphenyl)sulfanylterephthalic acid

Systemtic Name: 2-(4-morpholin-4-ylphenyl)sulfanylterephthalic acid Openeye Name: 2-(4-morpholinophenyl)sulfanylterephthalic acid CAS Name: 2-[[4-(4-morpholinyl)phenyl]thio]terephthalic acid IUPAC Name: 2-(4-morpholin-4-ylphenyl)sulfanylterephthalic acid Traditional Name: 2-[(4-morpholinophenyl)thio]terephthalic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)SC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)SC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H17NO5S/c20-17(21)12-1-6-15(18(22)23)16(11-12)25-14-4-2-13(3-5-14)19-7-9-24-10-8-19/h1-6,11H,7-10H2,(H,20,21)(H,22,23)