[4-[3-[4-(2-bromoethyloxy)phenyl]carbonyl-6-methylsulfonyloxy-1-benzothiophen-2-yl]phenyl] methanesulfonate

Systemtic Name: [4-[3-[4-(2-bromoethyloxy)phenyl]carbonyl-6-methylsulfonyloxy-1-benzothiophen-2-yl]phenyl] methanesulfonate Openeye Name: [4-[3-[4-(2-bromoethoxy)benzoyl]-6-methylsulfonyloxy-benzothiophen-2-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[[4-(2-bromoethoxy)phenyl]-oxomethyl]-6-methylsulfonyloxy-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[3-[4-(2-bromoethoxy)benzoyl]-6-methylsulfonyloxy-1-benzothiophen-2-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[3-[4-(2-bromoethoxy)benzoyl]-6-methylsulfonyloxy-benzothiophen-2-yl]phenyl] ester Formula: C25H21BrO8S3 MolecularWeight: 625.52844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)C)C(=O)C4=CC=C(C=C4)OCCBr

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)C)C(=O)C4=CC=C(C=C4)OCCBr

InChI

InChI=1S/C25H21BrO8S3/c1-36(28,29)33-19-9-5-17(6-10-19)25-23(24(27)16-3-7-18(8-4-16)32-14-13-26)21-12-11-20(15-22(21)35-25)34-37(2,30)31/h3-12,15H,13-14H2,1-2H3