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

Systemtic Name: 2-[3-(methylsulfonylmethyl)-4-phenylmethoxy-phenyl]-2-oxidanylidene-ethanal hydrate Openeye Name: 2-[4-benzyloxy-3-(methylsulfonylmethyl)phenyl]-2-oxo-acetaldehyde hydrate CAS Name: 2-[3-(methylsulfonylmethyl)-4-phenylmethoxyphenyl]-2-oxoacetaldehyde hydrate IUPAC Name: 2-[3-(methylsulfonylmethyl)-4-phenylmethoxyphenyl]-2-oxoacetaldehyde hydrate Traditional Name: 2-[4-benzoxy-3-(mesylmethyl)phenyl]-2-keto-acetaldehyde hydrate Formula: C17H18O6S MolecularWeight: 350.38622

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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.O

Isomeric SMILES

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

InChI

InChI=1S/C17H16O5S.H2O/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;1H2