5-tert-butyl-2-[2-dodecylsulfonyl-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-one

Systemtic Name: 5-tert-butyl-2-[2-dodecylsulfonyl-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-one Openeye Name: 5-tert-butyl-2-[2-dodecylsulfonyl-5-(trifluoromethyl)phenyl]isoxazol-3-one CAS Name: 5-tert-butyl-2-[2-dodecylsulfonyl-5-(trifluoromethyl)phenyl]-3-isoxazolone IUPAC Name: 5-tert-butyl-2-[2-dodecylsulfonyl-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-one Traditional Name: 5-tert-butyl-2-[2-laurylsulfonyl-5-(trifluoromethyl)phenyl]-4-isoxazolin-3-one Formula: C26H38F3NO4S MolecularWeight: 517.64443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)N2C(=O)C=C(O2)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)N2C(=O)C=C(O2)C(C)(C)C

InChI

InChI=1S/C26H38F3NO4S/c1-5-6-7-8-9-10-11-12-13-14-17-35(32,33)22-16-15-20(26(27,28)29)18-21(22)30-24(31)19-23(34-30)25(2,3)4/h15-16,18-19H,5-14,17H2,1-4H3