[4-(1-adamantyl)phenyl] 3-methylsulfonylbenzenesulfonate

Systemtic Name: [4-(1-adamantyl)phenyl] 3-methylsulfonylbenzenesulfonate Openeye Name: [4-(1-adamantyl)phenyl] 3-methylsulfonylbenzenesulfonate CAS Name: 3-methylsulfonylbenzenesulfonic acid [4-(1-adamantyl)phenyl] ester IUPAC Name: [4-(1-adamantyl)phenyl] 3-methylsulfonylbenzenesulfonate Traditional Name: 3-mesylbenzenesulfonic acid [4-(1-adamantyl)phenyl] ester Formula: C23H26O5S2 MolecularWeight: 446.57954

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H26O5S2/c1-29(24,25)21-3-2-4-22(12-21)30(26,27)28-20-7-5-19(6-8-20)23-13-16-9-17(14-23)11-18(10-16)15-23/h2-8,12,16-18H,9-11,13-15H2,1H3