3-(carboxymethyl)-9-oxidanylidene-thioxanthene-1-carboxylic acid

Systemtic Name: 3-(carboxymethyl)-9-oxidanylidene-thioxanthene-1-carboxylic acid Openeye Name: 3-(carboxymethyl)-9-oxo-thioxanthene-1-carboxylic acid CAS Name: 3-(carboxymethyl)-9-oxo-1-thioxanthenecarboxylic acid IUPAC Name: 3-(carboxymethyl)-9-oxothioxanthene-1-carboxylic acid Traditional Name: 3-(carboxymethyl)-9-keto-thioxanthene-1-carboxylic acid Formula: C16H10O5S MolecularWeight: 314.3126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3C(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3C(=O)O)CC(=O)O

InChI

InChI=1S/C16H10O5S/c17-13(18)7-8-5-10(16(20)21)14-12(6-8)22-11-4-2-1-3-9(11)15(14)19/h1-6H,7H2,(H,17,18)(H,20,21)