(1-oxidanylidene-1-phenyl-nonan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-oxidanylidene-1-phenyl-nonan-2-yl) 4-methylbenzenesulfonate Openeye Name: 1-benzoyloctyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-oxo-1-phenylnonan-2-yl) ester IUPAC Name: (1-oxo-1-phenylnonan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-benzoyloctyl ester Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCC(C(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H28O4S/c1-3-4-5-6-10-13-21(22(23)19-11-8-7-9-12-19)26-27(24,25)20-16-14-18(2)15-17-20/h7-9,11-12,14-17,21H,3-6,10,13H2,1-2H3