3-(2-hydroxyethylsulfanyl)-9-oxidanylidene-thioxanthene-1-carboxylic acid

Systemtic Name: 3-(2-hydroxyethylsulfanyl)-9-oxidanylidene-thioxanthene-1-carboxylic acid Openeye Name: 3-(2-hydroxyethylsulfanyl)-9-oxo-thioxanthene-1-carboxylic acid CAS Name: 3-(2-hydroxyethylthio)-9-oxo-1-thioxanthenecarboxylic acid IUPAC Name: 3-(2-hydroxyethylsulfanyl)-9-oxothioxanthene-1-carboxylic acid Traditional Name: 3-(2-hydroxyethylthio)-9-keto-thioxanthene-1-carboxylic acid Formula: C16H12O4S2 MolecularWeight: 332.39408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3C(=O)O)SCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3C(=O)O)SCCO

InChI

InChI=1S/C16H12O4S2/c17-5-6-21-9-7-11(16(19)20)14-13(8-9)22-12-4-2-1-3-10(12)15(14)18/h1-4,7-8,17H,5-6H2,(H,19,20)