3-(phenylmethyl)sulfonyloxypentan-3-ylphosphonic acid

Systemtic Name: 3-(phenylmethyl)sulfonyloxypentan-3-ylphosphonic acid Openeye Name: (1-benzylsulfonyloxy-1-ethyl-propyl)phosphonic acid CAS Name: 3-(phenylmethyl)sulfonyloxypentan-3-ylphosphonic acid IUPAC Name: 3-benzylsulfonyloxypentan-3-ylphosphonic acid Traditional Name: (1-benzylsulfonyloxy-1-ethyl-propyl)phosphonic acid Formula: C12H19O6PS MolecularWeight: 322.314421

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OS(=O)(=O)CC1=CC=CC=C1)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OS(=O)(=O)CC1=CC=CC=C1)P(=O)(O)O

InChI

InChI=1S/C12H19O6PS/c1-3-12(4-2,19(13,14)15)18-20(16,17)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H2,13,14,15)