5,7-dimethyl-9-oxidanylidene-thioxanthene-3-carboxylic acid

Systemtic Name: 5,7-dimethyl-9-oxidanylidene-thioxanthene-3-carboxylic acid Openeye Name: 5,7-dimethyl-9-oxo-thioxanthene-3-carboxylic acid CAS Name: 5,7-dimethyl-9-oxo-3-thioxanthenecarboxylic acid IUPAC Name: 5,7-dimethyl-9-oxothioxanthene-3-carboxylic acid Traditional Name: 9-keto-5,7-dimethyl-thioxanthene-3-carboxylic acid Formula: C16H12O3S MolecularWeight: 284.32968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3)C(=O)O)C

InChI

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