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

Systemtic Name: 1,2-dimethyl-9-oxidanylidene-thioxanthene-3,4-dicarboxylic acid Openeye Name: 1,2-dimethyl-9-oxo-thioxanthene-3,4-dicarboxylic acid CAS Name: 1,2-dimethyl-9-oxothioxanthene-3,4-dicarboxylic acid IUPAC Name: 1,2-dimethyl-9-oxothioxanthene-3,4-dicarboxylic acid Traditional Name: 9-keto-1,2-dimethyl-thioxanthene-3,4-dicarboxylic acid Formula: C17H12O5S MolecularWeight: 328.33918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)C(=O)O)C(=O)O)SC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C2C(=C(C(=C1C)C(=O)O)C(=O)O)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C17H12O5S/c1-7-8(2)12-14(18)9-5-3-4-6-10(9)23-15(12)13(17(21)22)11(7)16(19)20/h3-6H,1-2H3,(H,19,20)(H,21,22)