7-(2-hydroxyethylamino)-9-oxidanylidene-thioxanthene-3-carboxylic acid

Systemtic Name: 7-(2-hydroxyethylamino)-9-oxidanylidene-thioxanthene-3-carboxylic acid Openeye Name: 7-(2-hydroxyethylamino)-9-oxo-thioxanthene-3-carboxylic acid CAS Name: 7-(2-hydroxyethylamino)-9-oxo-3-thioxanthenecarboxylic acid IUPAC Name: 7-(2-hydroxyethylamino)-9-oxothioxanthene-3-carboxylic acid Traditional Name: 7-(2-hydroxyethylamino)-9-keto-thioxanthene-3-carboxylic acid Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)SC3=C(C2=O)C=C(C=C3)NCCO

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)SC3=C(C2=O)C=C(C=C3)NCCO

InChI

InChI=1S/C16H13NO4S/c18-6-5-17-10-2-4-13-12(8-10)15(19)11-3-1-9(16(20)21)7-14(11)22-13/h1-4,7-8,17-18H,5-6H2,(H,20,21)