7-acetyloxy-9-oxidanylidene-thioxanthene-3-carboxylic acid

Systemtic Name: 7-acetyloxy-9-oxidanylidene-thioxanthene-3-carboxylic acid Openeye Name: 7-acetoxy-9-oxo-thioxanthene-3-carboxylic acid CAS Name: 7-acetyloxy-9-oxo-3-thioxanthenecarboxylic acid IUPAC Name: 7-acetyloxy-9-oxothioxanthene-3-carboxylic acid Traditional Name: 7-acetoxy-9-keto-thioxanthene-3-carboxylic acid Formula: C16H10O5S MolecularWeight: 314.3126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O

InChI

InChI=1S/C16H10O5S/c1-8(17)21-10-3-5-13-12(7-10)15(18)11-4-2-9(16(19)20)6-14(11)22-13/h2-7H,1H3,(H,19,20)