1-(4-methoxyphenyl)-3-oxidanylidene-3-phenyl-propane-1-sulfonic acid

Systemtic Name: 1-(4-methoxyphenyl)-3-oxidanylidene-3-phenyl-propane-1-sulfonic acid Openeye Name: 1-(4-methoxyphenyl)-3-oxo-3-phenyl-propane-1-sulfonic acid CAS Name: 1-(4-methoxyphenyl)-3-oxo-3-phenyl-1-propanesulfonic acid IUPAC Name: 1-(4-methoxyphenyl)-3-oxo-3-phenylpropane-1-sulfonic acid Traditional Name: 3-keto-1-(4-methoxyphenyl)-3-phenyl-propane-1-sulfonic acid Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C16H16O5S/c1-21-14-9-7-13(8-10-14)16(22(18,19)20)11-15(17)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H,18,19,20)