3-methoxy-3-oxidanylidene-2-(phenylmethyl)propane-1-sulfonic acid

Systemtic Name: 3-methoxy-3-oxidanylidene-2-(phenylmethyl)propane-1-sulfonic acid Openeye Name: 2-benzyl-3-methoxy-3-oxo-propane-1-sulfonic acid CAS Name: 3-methoxy-3-oxo-2-(phenylmethyl)-1-propanesulfonic acid IUPAC Name: 2-benzyl-3-methoxy-3-oxopropane-1-sulfonic acid Traditional Name: 2-benzyl-3-keto-3-methoxy-propane-1-sulfonic acid Formula: C11H14O5S MolecularWeight: 258.29086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)O

InChI

InChI=1S/C11H14O5S/c1-16-11(12)10(8-17(13,14)15)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14,15)