2-octyl-1,2-oxaziridin-3-one; 4-(2-phenylpropan-2-yl)phenol

Systemtic Name: 2-octyl-1,2-oxaziridin-3-one; 4-(2-phenylpropan-2-yl)phenol Openeye Name: 4-(1-methyl-1-phenyl-ethyl)phenol; 2-octyloxaziridin-3-one CAS Name: 2-octyl-3-oxaziridinone; 4-(2-phenylpropan-2-yl)phenol IUPAC Name: 2-octyloxaziridin-3-one; 4-(2-phenylpropan-2-yl)phenol Traditional Name: 4-cumylphenol; 2-octyloxaziridin-3-one Formula: C24H33NO3 MolecularWeight: 383.52372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)O1.CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCCCN1C(=O)O1.CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O

InChI

InChI=1S/C15H16O.C9H17NO2/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;1-2-3-4-5-6-7-8-10-9(11)12-10/h3-11,16H,1-2H3;2-8H2,1H3