[4-[3,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)-2-oxidanyl-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[3,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)-2-oxidanyl-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-methylsulfonyloxy-phenyl)-2-hydroxy-3,5-dimethyl-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-hydroxy-3,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] ester IUPAC Name: [4-[2-hydroxy-3,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-methylsulfonyloxy-phenyl)-2-hydroxy-3,5-dimethyl-phenyl]phenyl] ester Formula: C29H28O8S2 MolecularWeight: 568.65782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C29H28O8S2/c1-19-16-25(22-10-13-24(14-11-22)36-38(3,31)32)29(30)20(2)28(19)23-12-15-26(27(17-23)37-39(4,33)34)35-18-21-8-6-5-7-9-21/h5-17,30H,18H2,1-4H3