7-(1-hydroxyethyl)-9-oxidanylidene-thioxanthene-3-carboxylic acid

Systemtic Name: 7-(1-hydroxyethyl)-9-oxidanylidene-thioxanthene-3-carboxylic acid Openeye Name: 7-(1-hydroxyethyl)-9-oxo-thioxanthene-3-carboxylic acid CAS Name: 7-(1-hydroxyethyl)-9-oxo-3-thioxanthenecarboxylic acid IUPAC Name: 7-(1-hydroxyethyl)-9-oxothioxanthene-3-carboxylic acid Traditional Name: 7-(1-hydroxyethyl)-9-keto-thioxanthene-3-carboxylic acid Formula: C16H12O4S MolecularWeight: 300.32908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O)O

InChI

InChI=1S/C16H12O4S/c1-8(17)9-3-5-13-12(6-9)15(18)11-4-2-10(16(19)20)7-14(11)21-13/h2-8,17H,1H3,(H,19,20)