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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OS(=O)(=O)C)C4=CC=C(C=C4)OS(=O)(=O)C)Br

Isomeric SMILES

CC(OC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OS(=O)(=O)C)C4=CC=C(C=C4)OS(=O)(=O)C)Br

InChI

InChI=1S/C25H21BrO8S3/c1-15(26)32-18-8-4-16(5-9-18)24(27)23-21-13-12-20(34-37(3,30)31)14-22(21)35-25(23)17-6-10-19(11-7-17)33-36(2,28)29/h4-15H,1-3H3