(6E)-2-tert-butyl-5-methoxy-6-[5-(trifluoromethylsulfonyl)-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-2-tert-butyl-5-methoxy-6-[5-(trifluoromethylsulfonyl)-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2-tert-butyl-5-methoxy-6-[5-(trifluoromethylsulfonyl)-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-2-tert-butyl-5-methoxy-6-[5-(trifluoromethylsulfonyl)-1,3-dihydrobenzimidazol-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2-tert-butyl-5-methoxy-6-[5-(trifluoromethylsulfonyl)-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-2-tert-butyl-5-methoxy-6-(5-triflyl-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one Formula: C19H19F3N2O4S MolecularWeight: 428.42537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C(=C2NC3=C(N2)C=C(C=C3)S(=O)(=O)C(F)(F)F)C1=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(/C(=C\2/NC3=C(N2)C=C(C=C3)S(=O)(=O)C(F)(F)F)/C1=O)OC

InChI

InChI=1S/C19H19F3N2O4S/c1-18(2,3)11-6-8-14(28-4)15(16(11)25)17-23-12-7-5-10(9-13(12)24-17)29(26,27)19(20,21)22/h5-9,23-24H,1-4H3/b17-15+