[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenethyloxy-phenyl)phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenethyloxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenethyloxy-phenyl)phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenethyloxyphenyl)phenyl]phenyl] ester IUPAC Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenethyloxyphenyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenethyloxy-phenyl)phenyl]phenyl] ester Formula: C31H32O12S3 MolecularWeight: 692.77358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C31H32O12S3/c1-38-28-20-25(22-11-14-24(15-12-22)41-44(3,32)33)30(39-2)31(43-46(5,36)37)29(28)23-13-16-26(27(19-23)42-45(4,34)35)40-18-17-21-9-7-6-8-10-21/h6-16,19-20H,17-18H2,1-5H3