(3-oxidanyl-9-oxidanylidene-thioxanthen-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanyl-9-oxidanylidene-thioxanthen-1-yl) 4-methylbenzenesulfonate Openeye Name: (3-hydroxy-9-oxo-thioxanthen-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-hydroxy-9-oxo-1-thioxanthenyl) ester IUPAC Name: (3-hydroxy-9-oxothioxanthen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-9-keto-thioxanthen-1-yl) ester Formula: C20H14O5S2 MolecularWeight: 398.45216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)O)SC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)O)SC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H14O5S2/c1-12-6-8-14(9-7-12)27(23,24)25-16-10-13(21)11-18-19(16)20(22)15-4-2-3-5-17(15)26-18/h2-11,21H,1H3