2-[4,5-dimethoxy-9-(2-methylsulfonyloxyethyl)thioxanthen-9-yl]ethyl methanesulfonate

Systemtic Name: 2-[4,5-dimethoxy-9-(2-methylsulfonyloxyethyl)thioxanthen-9-yl]ethyl methanesulfonate Openeye Name: 2-[4,5-dimethoxy-9-(2-methylsulfonyloxyethyl)thioxanthen-9-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4,5-dimethoxy-9-(2-methylsulfonyloxyethyl)-9-thioxanthenyl]ethyl ester IUPAC Name: 2-[4,5-dimethoxy-9-(2-methylsulfonyloxyethyl)thioxanthen-9-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4,5-dimethoxy-9-(2-methylsulfonyloxyethyl)thioxanthen-9-yl]ethyl ester Formula: C21H26O8S3 MolecularWeight: 502.62134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1SC3=C(C2(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=CC=C3OC

Isomeric SMILES

COC1=CC=CC2=C1SC3=C(C2(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=CC=C3OC

InChI

InChI=1S/C21H26O8S3/c1-26-17-9-5-7-15-19(17)30-20-16(8-6-10-18(20)27-2)21(15,11-13-28-31(3,22)23)12-14-29-32(4,24)25/h5-10H,11-14H2,1-4H3