methyl 2-[(2,3,4,5,6-pentadeuteriophenyl)-phenyl-methyl]sulfinylethanoate

Systemtic Name: methyl 2-[(2,3,4,5,6-pentadeuteriophenyl)-phenyl-methyl]sulfinylethanoate Openeye Name: methyl 2-[(2,3,4,5,6-pentadeuteriophenyl)-phenyl-methyl]sulfinylacetate CAS Name: 2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]sulfinylacetic acid methyl ester IUPAC Name: methyl 2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]sulfinylacetate Traditional Name: 2-[(2,3,4,5,6-pentadeuteriophenyl)-phenyl-methyl]sulfinylacetic acid methyl ester Formula: C16H16O3S MolecularWeight: 293.392249

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2=CC=CC=C2)S(=O)CC(=O)OC)[2H])[2H]

InChI

InChI=1S/C16H16O3S/c1-19-15(17)12-20(18)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3/i2D,4D,5D,8D,9D