(4R,5S)-2-methyl-5-(phenoxymethyl)-4-(phenylsulfonyl)cyclohex-2-en-1-one

Systemtic Name: (4R,5S)-2-methyl-5-(phenoxymethyl)-4-(phenylsulfonyl)cyclohex-2-en-1-one Openeye Name: (4R,5S)-4-(benzenesulfonyl)-2-methyl-5-(phenoxymethyl)cyclohex-2-en-1-one CAS Name: (4R,5S)-4-(benzenesulfonyl)-2-methyl-5-(phenoxymethyl)-1-cyclohex-2-enone IUPAC Name: (4R,5S)-4-(benzenesulfonyl)-2-methyl-5-(phenoxymethyl)cyclohex-2-en-1-one Traditional Name: (4R,5S)-4-besyl-2-methyl-5-(phenoxymethyl)cyclohex-2-en-1-one Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(CC1=O)COC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C[C@H]([C@@H](CC1=O)COC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20O4S/c1-15-12-20(25(22,23)18-10-6-3-7-11-18)16(13-19(15)21)14-24-17-8-4-2-5-9-17/h2-12,16,20H,13-14H2,1H3/t16-,20+/m0/s1