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

Systemtic Name: [4-[4-(3-chloranyl-4-phenylmethoxy-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-chloro-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(3-chloro-4-phenylmethoxyphenyl)-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-(3-chloro-4-phenylmethoxyphenyl)-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-chloro-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C29H27ClO9S2 MolecularWeight: 619.10228

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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)OCC4=CC=CC=C4)Cl

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)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C29H27ClO9S2/c1-35-26-17-23(20-10-13-22(14-11-20)38-40(3,31)32)28(36-2)29(39-41(4,33)34)27(26)21-12-15-25(24(30)16-21)37-18-19-8-6-5-7-9-19/h5-17H,18H2,1-4H3