9,10,10-tris(oxidanylidene)-7-propan-2-yl-thioxanthene-3-carboxylic acid

Systemtic Name: 9,10,10-tris(oxidanylidene)-7-propan-2-yl-thioxanthene-3-carboxylic acid Openeye Name: 7-isopropyl-9,10,10-trioxo-thioxanthene-3-carboxylic acid CAS Name: 9,10,10-trioxo-7-propan-2-yl-3-thioxanthenecarboxylic acid IUPAC Name: 9,10,10-trioxo-7-propan-2-ylthioxanthene-3-carboxylic acid Traditional Name: 7-isopropyl-9,10,10-triketo-thioxanthene-3-carboxylic acid Formula: C17H14O5S MolecularWeight: 330.35506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14O5S/c1-9(2)10-4-6-14-13(7-10)16(18)12-5-3-11(17(19)20)8-15(12)23(14,21)22/h3-9H,1-2H3,(H,19,20)