[4-[3,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[3,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-methylsulfonyloxy-phenyl)-3,5-dimethyl-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] ester IUPAC Name: [4-[3,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-methylsulfonyloxy-phenyl)-3,5-dimethyl-phenyl]phenyl] ester Formula: C29H28O7S2 MolecularWeight: 552.65842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)OS(=O)(=O)C)C)C4=CC=C(C=C4)OS(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)OS(=O)(=O)C)C)C4=CC=C(C=C4)OS(=O)(=O)C

InChI

InChI=1S/C29H28O7S2/c1-20-16-25(23-10-13-26(14-11-23)35-37(3,30)31)17-21(2)29(20)24-12-15-27(28(18-24)36-38(4,32)33)34-19-22-8-6-5-7-9-22/h5-18H,19H2,1-4H3