3-(4-methylsulfonylphenyl)pentan-3-ylphosphonic acid

Systemtic Name: 3-(4-methylsulfonylphenyl)pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-(4-methylsulfonylphenyl)propyl]phosphonic acid CAS Name: 3-(4-methylsulfonylphenyl)pentan-3-ylphosphonic acid IUPAC Name: 3-(4-methylsulfonylphenyl)pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-(4-mesylphenyl)propyl]phosphonic acid Formula: C12H19O5PS MolecularWeight: 306.315021

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)S(=O)(=O)C)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)S(=O)(=O)C)P(=O)(O)O

InChI

InChI=1S/C12H19O5PS/c1-4-12(5-2,18(13,14)15)10-6-8-11(9-7-10)19(3,16)17/h6-9H,4-5H2,1-3H3,(H2,13,14,15)