(6Z)-2-tert-butyl-6-[[[(2S)-1-oxidanylpropan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one; propan-2-ol; titanium

Systemtic Name: (6Z)-2-tert-butyl-6-[[[(2S)-1-oxidanylpropan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one; propan-2-ol; titanium Openeye Name: (6Z)-2-tert-butyl-6-[[[(1S)-2-hydroxy-1-methyl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one; propan-2-ol; titanium CAS Name: (6Z)-2-tert-butyl-6-[[[(2S)-1-hydroxypropan-2-yl]amino]methylidene]-1-cyclohexa-2,4-dienone; 2-propanol; titanium IUPAC Name: (6Z)-2-tert-butyl-6-[[[(2S)-1-hydroxypropan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one; propan-2-ol; titanium Traditional Name: (6Z)-2-tert-butyl-6-[[[(1S)-2-hydroxy-1-methyl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one; propan-2-ol; titanium Formula: C20H37NO4Ti MolecularWeight: 403.37908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)O.CC(CO)NC=C1C=CC=C(C1=O)C(C)(C)C.[Ti]

Isomeric SMILES

C[C@@H](CO)N/C=C\1/C=CC=C(C1=O)C(C)(C)C.CC(C)O.CC(C)O.[Ti]

InChI

InChI=1S/C14H21NO2.2C3H8O.Ti/c1-10(9-16)15-8-11-6-5-7-12(13(11)17)14(2,3)4;2*1-3(2)4;/h5-8,10,15-16H,9H2,1-4H3;2*3-4H,1-2H3;/b11-8-;;;/t10-;;;/m0.../s1