2-methoxyethyl 7-(hydroxymethyl)-9-oxidanylidene-thioxanthene-3-carboxylate

Systemtic Name: 2-methoxyethyl 7-(hydroxymethyl)-9-oxidanylidene-thioxanthene-3-carboxylate Openeye Name: 2-methoxyethyl 7-(hydroxymethyl)-9-oxo-thioxanthene-3-carboxylate CAS Name: 7-(hydroxymethyl)-9-oxo-3-thioxanthenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 7-(hydroxymethyl)-9-oxothioxanthene-3-carboxylate Traditional Name: 9-keto-7-methylol-thioxanthene-3-carboxylic acid 2-methoxyethyl ester Formula: C18H16O5S MolecularWeight: 344.38164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O5S/c1-22-6-7-23-18(21)12-3-4-13-16(9-12)24-15-5-2-11(10-19)8-14(15)17(13)20/h2-5,8-9,19H,6-7,10H2,1H3