9,10,10-tris(oxidanylidene)-6-piperidin-1-yl-thioxanthene-1-carboxylic acid

Systemtic Name: 9,10,10-tris(oxidanylidene)-6-piperidin-1-yl-thioxanthene-1-carboxylic acid Openeye Name: 9,10,10-trioxo-6-(1-piperidyl)thioxanthene-1-carboxylic acid CAS Name: 9,10,10-trioxo-6-(1-piperidinyl)-1-thioxanthenecarboxylic acid IUPAC Name: 9,10,10-trioxo-6-piperidin-1-ylthioxanthene-1-carboxylic acid Traditional Name: 9,10,10-triketo-6-piperidino-thioxanthene-1-carboxylic acid Formula: C19H17NO5S MolecularWeight: 371.40698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)O

InChI

InChI=1S/C19H17NO5S/c21-18-13-8-7-12(20-9-2-1-3-10-20)11-16(13)26(24,25)15-6-4-5-14(17(15)18)19(22)23/h4-8,11H,1-3,9-10H2,(H,22,23)