2-[4-methoxy-9-(2-methylsulfonyloxyethyl)-10,10-bis(oxidanylidene)thioxanthen-9-yl]ethyl methanesulfonate

Systemtic Name: 2-[4-methoxy-9-(2-methylsulfonyloxyethyl)-10,10-bis(oxidanylidene)thioxanthen-9-yl]ethyl methanesulfonate Openeye Name: 2-[4-methoxy-9-(2-methylsulfonyloxyethyl)-10,10-dioxo-thioxanthen-9-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-methoxy-9-(2-methylsulfonyloxyethyl)-10,10-dioxo-9-thioxanthenyl]ethyl ester IUPAC Name: 2-[4-methoxy-9-(2-methylsulfonyloxyethyl)-10,10-dioxothioxanthen-9-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[10,10-diketo-4-methoxy-9-(2-methylsulfonyloxyethyl)thioxanthen-9-yl]ethyl ester Formula: C20H24O9S3 MolecularWeight: 504.59416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1S(=O)(=O)C3=CC=CC=C3C2(CCOS(=O)(=O)C)CCOS(=O)(=O)C

Isomeric SMILES

COC1=CC=CC2=C1S(=O)(=O)C3=CC=CC=C3C2(CCOS(=O)(=O)C)CCOS(=O)(=O)C

InChI

InChI=1S/C20H24O9S3/c1-27-17-9-6-8-16-19(17)32(25,26)18-10-5-4-7-15(18)20(16,11-13-28-30(2,21)22)12-14-29-31(3,23)24/h4-10H,11-14H2,1-3H3