1,2-diethyl-9-oxidanylidene-thioxanthene-3,4-dicarboxylic acid

Systemtic Name: 1,2-diethyl-9-oxidanylidene-thioxanthene-3,4-dicarboxylic acid Openeye Name: 1,2-diethyl-9-oxo-thioxanthene-3,4-dicarboxylic acid CAS Name: 1,2-diethyl-9-oxothioxanthene-3,4-dicarboxylic acid IUPAC Name: 1,2-diethyl-9-oxothioxanthene-3,4-dicarboxylic acid Traditional Name: 1,2-diethyl-9-keto-thioxanthene-3,4-dicarboxylic acid Formula: C19H16O5S MolecularWeight: 356.39234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C(=C1CC)C(=O)O)C(=O)O)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCC1=C2C(=C(C(=C1CC)C(=O)O)C(=O)O)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H16O5S/c1-3-9-10(4-2)14-16(20)11-7-5-6-8-12(11)25-17(14)15(19(23)24)13(9)18(21)22/h5-8H,3-4H2,1-2H3,(H,21,22)(H,23,24)