2-[3-(methylsulfonylmethyl)-4-phenylmethoxy-phenyl]-2-oxidanylidene-ethanal

Systemtic Name: 2-[3-(methylsulfonylmethyl)-4-phenylmethoxy-phenyl]-2-oxidanylidene-ethanal Openeye Name: 2-[4-benzyloxy-3-(methylsulfonylmethyl)phenyl]-2-oxo-acetaldehyde CAS Name: 2-[3-(methylsulfonylmethyl)-4-phenylmethoxyphenyl]-2-oxoacetaldehyde IUPAC Name: 2-[3-(methylsulfonylmethyl)-4-phenylmethoxyphenyl]-2-oxoacetaldehyde Traditional Name: 2-[4-benzoxy-3-(mesylmethyl)phenyl]-2-keto-acetaldehyde Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=C(C=CC(=C1)C(=O)C=O)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)CC1=C(C=CC(=C1)C(=O)C=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H16O5S/c1-23(20,21)12-15-9-14(16(19)10-18)7-8-17(15)22-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3