[4-(4-bromanyl-2,5-diethoxy-3-methylsulfonyloxy-phenyl)phenyl] methanesulfonate

Systemtic Name: [4-(4-bromanyl-2,5-diethoxy-3-methylsulfonyloxy-phenyl)phenyl] methanesulfonate Openeye Name: [4-(4-bromo-2,5-diethoxy-3-methylsulfonyloxy-phenyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(4-bromo-2,5-diethoxy-3-methylsulfonyloxyphenyl)phenyl] ester IUPAC Name: [4-(4-bromo-2,5-diethoxy-3-methylsulfonyloxyphenyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(4-bromo-2,5-diethoxy-3-methylsulfonyloxy-phenyl)phenyl] ester Formula: C18H21BrO8S2 MolecularWeight: 509.38854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OCC)OS(=O)(=O)C)Br

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OCC)OS(=O)(=O)C)Br

InChI

InChI=1S/C18H21BrO8S2/c1-5-24-15-11-14(12-7-9-13(10-8-12)26-28(3,20)21)17(25-6-2)18(16(15)19)27-29(4,22)23/h7-11H,5-6H2,1-4H3