7-(hydroxymethyl)-9-oxidanylidene-thioxanthene-3-carboxylic acid

Systemtic Name: 7-(hydroxymethyl)-9-oxidanylidene-thioxanthene-3-carboxylic acid Openeye Name: 7-(hydroxymethyl)-9-oxo-thioxanthene-3-carboxylic acid CAS Name: 7-(hydroxymethyl)-9-oxo-3-thioxanthenecarboxylic acid IUPAC Name: 7-(hydroxymethyl)-9-oxothioxanthene-3-carboxylic acid Traditional Name: 9-keto-7-methylol-thioxanthene-3-carboxylic acid Formula: C15H10O4S MolecularWeight: 286.3025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CO)C(=O)C3=C(S2)C=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1CO)C(=O)C3=C(S2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C15H10O4S/c16-7-8-1-4-12-11(5-8)14(17)10-3-2-9(15(18)19)6-13(10)20-12/h1-6,16H,7H2,(H,18,19)