2-[3-chloranyl-5-methoxy-9-(2-methylsulfonyloxyethyl)thioxanthen-9-yl]ethyl methanesulfonate

Systemtic Name: 2-[3-chloranyl-5-methoxy-9-(2-methylsulfonyloxyethyl)thioxanthen-9-yl]ethyl methanesulfonate Openeye Name: 2-[3-chloro-5-methoxy-9-(2-methylsulfonyloxyethyl)thioxanthen-9-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-chloro-5-methoxy-9-(2-methylsulfonyloxyethyl)-9-thioxanthenyl]ethyl ester IUPAC Name: 2-[3-chloro-5-methoxy-9-(2-methylsulfonyloxyethyl)thioxanthen-9-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-chloro-5-methoxy-9-(2-methylsulfonyloxyethyl)thioxanthen-9-yl]ethyl ester Formula: C20H23ClO7S3 MolecularWeight: 507.04042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1SC3=C(C2(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=CC(=C3)Cl

Isomeric SMILES

COC1=CC=CC2=C1SC3=C(C2(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=CC(=C3)Cl

InChI

InChI=1S/C20H23ClO7S3/c1-26-17-6-4-5-16-19(17)29-18-13-14(21)7-8-15(18)20(16,9-11-27-30(2,22)23)10-12-28-31(3,24)25/h4-8,13H,9-12H2,1-3H3