(6E)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one; (Z)-4-oxidanylpent-3-en-2-one; zirconium

Systemtic Name: (6E)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one; (Z)-4-oxidanylpent-3-en-2-one; zirconium Openeye Name: (6E)-6-[(2-hydroxyethylamino)methylene]cyclohexa-2,4-dien-1-one; (Z)-4-hydroxypent-3-en-2-one; zirconium CAS Name: (6E)-6-[(2-hydroxyethylamino)methylidene]-1-cyclohexa-2,4-dienone; (Z)-4-hydroxy-3-penten-2-one; zirconium IUPAC Name: (6E)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one; (Z)-4-hydroxypent-3-en-2-one; zirconium Traditional Name: (6E)-6-[(2-hydroxyethylamino)methylene]cyclohexa-2,4-dien-1-one; (Z)-4-hydroxypent-3-en-2-one; zirconium Formula: C19H27NO6Zr MolecularWeight: 456.64478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.CC(=CC(=O)C)O.C1=CC(=CNCCO)C(=O)C=C1.[Zr]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C1=C/C(=C\NCCO)/C(=O)C=C1.[Zr]

InChI

InChI=1S/C9H11NO2.2C5H8O2.Zr/c11-6-5-10-7-8-3-1-2-4-9(8)12;2*1-4(6)3-5(2)7;/h1-4,7,10-11H,5-6H2;2*3,6H,1-2H3;/b8-7+;2*4-3-;