[4-[2-chloranyl-3,6-dimethoxy-4-(3-methoxy-4-oxidanyl-phenyl)-5-methylsulfonyloxy-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[2-chloranyl-3,6-dimethoxy-4-(3-methoxy-4-oxidanyl-phenyl)-5-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[2-chloro-4-(4-hydroxy-3-methoxy-phenyl)-3,6-dimethoxy-5-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-chloro-4-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-5-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[2-chloro-4-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-5-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-chloro-4-(4-hydroxy-3-methoxy-phenyl)-3,6-dimethoxy-5-methylsulfonyloxy-phenyl]phenyl] ester Formula: C23H23ClO10S2 MolecularWeight: 559.00572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C(=C(C(=C2OC)Cl)C3=CC=C(C=C3)OS(=O)(=O)C)OC)OS(=O)(=O)C)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C(=C(C(=C2OC)Cl)C3=CC=C(C=C3)OS(=O)(=O)C)OC)OS(=O)(=O)C)O

InChI

InChI=1S/C23H23ClO10S2/c1-30-17-12-14(8-11-16(17)25)19-21(31-2)20(24)18(22(32-3)23(19)34-36(5,28)29)13-6-9-15(10-7-13)33-35(4,26)27/h6-12,25H,1-5H3