[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C25H28O6S MolecularWeight: 456.55122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(O4)CS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(O4)CS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H28O6S/c1-16(23(26)25-12-17-9-18(13-25)11-19(10-17)14-25)30-24(27)22-8-7-20(31-22)15-32(28,29)21-5-3-2-4-6-21/h2-8,16-19H,9-15H2,1H3