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

Systemtic Name: 9,10,10-tris(oxidanylidene)-6-pyrrolidin-1-yl-thioxanthene-1-carboxylic acid Openeye Name: 9,10,10-trioxo-6-pyrrolidin-1-yl-thioxanthene-1-carboxylic acid CAS Name: 9,10,10-trioxo-6-(1-pyrrolidinyl)-1-thioxanthenecarboxylic acid IUPAC Name: 9,10,10-trioxo-6-pyrrolidin-1-ylthioxanthene-1-carboxylic acid Traditional Name: 9,10,10-triketo-6-pyrrolidino-thioxanthene-1-carboxylic acid Formula: C18H15NO5S MolecularWeight: 357.3804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)O

InChI

InChI=1S/C18H15NO5S/c20-17-12-7-6-11(19-8-1-2-9-19)10-15(12)25(23,24)14-5-3-4-13(16(14)17)18(21)22/h3-7,10H,1-2,8-9H2,(H,21,22)