[4-(1-adamantyl)phenyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [4-(1-adamantyl)phenyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [4-(1-adamantyl)phenyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [4-(1-adamantyl)phenyl] ester IUPAC Name: [4-(1-adamantyl)phenyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [4-(1-adamantyl)phenyl] ester Formula: C25H28O4S MolecularWeight: 424.55242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O4S/c1-16-3-8-22(30(2,27)28)12-23(16)24(26)29-21-6-4-20(5-7-21)25-13-17-9-18(14-25)11-19(10-17)15-25/h3-8,12,17-19H,9-11,13-15H2,1-2H3