7-ethyl-9-oxidanylidene-thioxanthene-3-carboxylic acid

Systemtic Name: 7-ethyl-9-oxidanylidene-thioxanthene-3-carboxylic acid Openeye Name: 7-ethyl-9-oxo-thioxanthene-3-carboxylic acid CAS Name: 7-ethyl-9-oxo-3-thioxanthenecarboxylic acid IUPAC Name: 7-ethyl-9-oxothioxanthene-3-carboxylic acid Traditional Name: 7-ethyl-9-keto-thioxanthene-3-carboxylic acid Formula: C16H12O3S MolecularWeight: 284.32968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O

InChI

InChI=1S/C16H12O3S/c1-2-9-3-6-13-12(7-9)15(17)11-5-4-10(16(18)19)8-14(11)20-13/h3-8H,2H2,1H3,(H,18,19)