[(E,2S,5R)-4-methyl-2-methylsulfonyl-7-oxidanylidene-5-phenylmethoxy-oct-3-en-3-yl] benzoate

Systemtic Name: [(E,2S,5R)-4-methyl-2-methylsulfonyl-7-oxidanylidene-5-phenylmethoxy-oct-3-en-3-yl] benzoate Openeye Name: [(E,3R)-3-benzyloxy-2-methyl-1-[(1S)-1-methylsulfonylethyl]-5-oxo-hex-1-enyl] benzoate CAS Name: benzoic acid [(E,2S,5R)-4-methyl-2-methylsulfonyl-7-oxo-5-phenylmethoxyoct-3-en-3-yl] ester IUPAC Name: [(E,2S,5R)-4-methyl-2-methylsulfonyl-7-oxo-5-phenylmethoxyoct-3-en-3-yl] benzoate Traditional Name: benzoic acid [(E,3R)-3-benzoxy-5-keto-1-[(1S)-1-mesylethyl]-2-methyl-hex-1-enyl] ester Formula: C24H28O6S MolecularWeight: 444.54052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C(C)C(CC(=O)C)OCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

C[C@@H](/C(=C(/C)\[C@@H](CC(=O)C)OCC1=CC=CC=C1)/OC(=O)C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C24H28O6S/c1-17(25)15-22(29-16-20-11-7-5-8-12-20)18(2)23(19(3)31(4,27)28)30-24(26)21-13-9-6-10-14-21/h5-14,19,22H,15-16H2,1-4H3/b23-18+/t19-,22+/m0/s1