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

Systemtic Name: [4-[4-[4-(2-dimethylaminoethyloxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[4-(2-dimethylaminoethyloxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[4-(2-dimethylaminoethyloxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-[4-(2-dimethylaminoethyloxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[4-(2-dimethylaminoethyloxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C27H33NO12S3 MolecularWeight: 659.74542

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)OS(=O)(=O)C)OC)OS(=O)(=O)C

Isomeric SMILES

CN(C)CCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)OS(=O)(=O)C)OC)OS(=O)(=O)C

InChI

InChI=1S/C27H33NO12S3/c1-28(2)14-15-37-22-13-10-19(16-23(22)39-42(6,31)32)25-24(35-3)17-21(26(36-4)27(25)40-43(7,33)34)18-8-11-20(12-9-18)38-41(5,29)30/h8-13,16-17H,14-15H2,1-7H3