(1-oxidanylidene-1-phenyl-propan-2-yl) octane-1-sulfonate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) octane-1-sulfonate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: (1-oxo-1-phenylpropan-2-yl) octane-1-sulfonate Traditional Name: octane-1-sulfonic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC(C)C(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC(C)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H26O4S/c1-3-4-5-6-7-11-14-22(19,20)21-15(2)17(18)16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3