[4-(1-adamantyl)phenyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [4-(1-adamantyl)phenyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [4-(1-adamantyl)phenyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [4-(1-adamantyl)phenyl] ester IUPAC Name: [4-(1-adamantyl)phenyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [4-(1-adamantyl)phenyl] ester Formula: C25H28O4S MolecularWeight: 424.55242

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28O4S/c1-30(27,28)16-17-3-2-4-21(12-17)24(26)29-23-7-5-22(6-8-23)25-13-18-9-19(14-25)11-20(10-18)15-25/h2-8,12,18-20H,9-11,13-16H2,1H3