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

Systemtic Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenacyloxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenacyloxy-phenyl)phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenacyloxyphenyl)phenyl]phenyl] ester IUPAC Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenacyloxyphenyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenacyloxy-phenyl)phenyl]phenyl] ester Formula: C31H30O13S3 MolecularWeight: 706.7571

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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)OCC(=O)C4=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)OCC(=O)C4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C31H30O13S3/c1-39-28-18-24(20-11-14-23(15-12-20)42-45(3,33)34)30(40-2)31(44-47(5,37)38)29(28)22-13-16-26(27(17-22)43-46(4,35)36)41-19-25(32)21-9-7-6-8-10-21/h6-18H,19H2,1-5H3