6-(2,3-dimethoxyphenyl)-9,10,10-tris(oxidanylidene)thioxanthene-1-carboxylic acid

Systemtic Name: 6-(2,3-dimethoxyphenyl)-9,10,10-tris(oxidanylidene)thioxanthene-1-carboxylic acid Openeye Name: 6-(2,3-dimethoxyphenyl)-9,10,10-trioxo-thioxanthene-1-carboxylic acid CAS Name: 6-(2,3-dimethoxyphenyl)-9,10,10-trioxo-1-thioxanthenecarboxylic acid IUPAC Name: 6-(2,3-dimethoxyphenyl)-9,10,10-trioxothioxanthene-1-carboxylic acid Traditional Name: 6-(2,3-dimethoxyphenyl)-9,10,10-triketo-thioxanthene-1-carboxylic acid Formula: C22H16O7S MolecularWeight: 424.42324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)O

InChI

InChI=1S/C22H16O7S/c1-28-16-7-3-5-13(21(16)29-2)12-9-10-14-18(11-12)30(26,27)17-8-4-6-15(22(24)25)19(17)20(14)23/h3-11H,1-2H3,(H,24,25)