methyl 7-(hydroxymethyl)-9-oxidanylidene-thioxanthene-3-carboxylate

Systemtic Name: methyl 7-(hydroxymethyl)-9-oxidanylidene-thioxanthene-3-carboxylate Openeye Name: methyl 7-(hydroxymethyl)-9-oxo-thioxanthene-3-carboxylate CAS Name: 7-(hydroxymethyl)-9-oxo-3-thioxanthenecarboxylic acid methyl ester IUPAC Name: methyl 7-(hydroxymethyl)-9-oxothioxanthene-3-carboxylate Traditional Name: 9-keto-7-methylol-thioxanthene-3-carboxylic acid methyl ester Formula: C16H12O4S MolecularWeight: 300.32908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)C3=C(S2)C=CC(=C3)CO

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)C3=C(S2)C=CC(=C3)CO

InChI

InChI=1S/C16H12O4S/c1-20-16(19)10-3-4-11-14(7-10)21-13-5-2-9(8-17)6-12(13)15(11)18/h2-7,17H,8H2,1H3