1-(1-adamantyl)-3-(phenylsulfonyl)hex-5-en-1-one

Systemtic Name: 1-(1-adamantyl)-3-(phenylsulfonyl)hex-5-en-1-one Openeye Name: 1-(1-adamantyl)-3-(benzenesulfonyl)hex-5-en-1-one CAS Name: 1-(1-adamantyl)-3-(benzenesulfonyl)-5-hexen-1-one IUPAC Name: 1-(1-adamantyl)-3-(benzenesulfonyl)hex-5-en-1-one Traditional Name: 1-(1-adamantyl)-3-besyl-hex-5-en-1-one Formula: C22H28O3S MolecularWeight: 372.52092

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC(=O)C12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCC(CC(=O)C12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H28O3S/c1-2-6-20(26(24,25)19-7-4-3-5-8-19)12-21(23)22-13-16-9-17(14-22)11-18(10-16)15-22/h2-5,7-8,16-18,20H,1,6,9-15H2