1-phenylpropan-2-yl pentane-1-sulfonate

Systemtic Name: 1-phenylpropan-2-yl pentane-1-sulfonate Openeye Name: (1-methyl-2-phenyl-ethyl) pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: 1-phenylpropan-2-yl pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid (1-methyl-2-phenyl-ethyl) ester Formula: C14H22O3S MolecularWeight: 270.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC(C)CC1=CC=CC=C1

Isomeric SMILES

CCCCCS(=O)(=O)OC(C)CC1=CC=CC=C1

InChI

InChI=1S/C14H22O3S/c1-3-4-8-11-18(15,16)17-13(2)12-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3