[4-[2-ethoxy-5-methoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-phenyl]-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[2-ethoxy-5-methoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-phenyl]-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[2-ethoxy-5-methoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-phenyl]-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-ethoxy-5-methoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[2-ethoxy-5-methoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-ethoxy-5-methoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-phenyl]-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C29H34O12S3 MolecularWeight: 670.76806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)OC)C3=CC(=C(C=C3)OCC=C(C)C)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CCOC1=C(C(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)OC)C3=CC(=C(C=C3)OCC=C(C)C)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C29H34O12S3/c1-8-37-28-23(20-9-12-22(13-10-20)39-42(5,30)31)18-26(36-4)27(29(28)41-44(7,34)35)21-11-14-24(38-16-15-19(2)3)25(17-21)40-43(6,32)33/h9-15,17-18H,8,16H2,1-7H3