(2,2-dimethyl-1-oxidanylidene-1-phenyl-heptan-3-yl) (4-methylphenyl) sulfite

Systemtic Name: (2,2-dimethyl-1-oxidanylidene-1-phenyl-heptan-3-yl) (4-methylphenyl) sulfite Openeye Name: 1-(1,1-dimethyl-2-oxo-2-phenyl-ethyl)pentyl p-tolyl sulfite CAS Name: sulfurous acid (2,2-dimethyl-1-oxo-1-phenylheptan-3-yl) (4-methylphenyl) ester IUPAC Name: (2,2-dimethyl-1-oxo-1-phenylheptan-3-yl) (4-methylphenyl) sulfite Traditional Name: sulfurous acid 1-(2-keto-1,1-dimethyl-2-phenyl-ethyl)pentyl p-tolyl ester Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C)C(=O)C1=CC=CC=C1)OS(=O)OC2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(C(C)(C)C(=O)C1=CC=CC=C1)OS(=O)OC2=CC=C(C=C2)C

InChI

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