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

Systemtic Name: 2-[2-chloranyl-5-methoxy-9-(2-methylsulfonyloxyethyl)xanthen-9-yl]ethyl methanesulfonate Openeye Name: 2-[2-chloro-5-methoxy-9-(2-methylsulfonyloxyethyl)xanthen-9-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-chloro-5-methoxy-9-(2-methylsulfonyloxyethyl)-9-xanthenyl]ethyl ester IUPAC Name: 2-[2-chloro-5-methoxy-9-(2-methylsulfonyloxyethyl)xanthen-9-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-chloro-5-methoxy-9-(2-methylsulfonyloxyethyl)xanthen-9-yl]ethyl ester Formula: C20H23ClO8S2 MolecularWeight: 490.97482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC3=C(C2(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC2=C1OC3=C(C2(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=C(C=C3)Cl

InChI

InChI=1S/C20H23ClO8S2/c1-26-18-6-4-5-15-19(18)29-17-8-7-14(21)13-16(17)20(15,9-11-27-30(2,22)23)10-12-28-31(3,24)25/h4-8,13H,9-12H2,1-3H3