(Z)-4-oxidanyl-4-phenyl-but-3-en-2-one; zirconium

Systemtic Name: (Z)-4-oxidanyl-4-phenyl-but-3-en-2-one; zirconium Openeye Name: (Z)-4-hydroxy-4-phenyl-but-3-en-2-one; zirconium CAS Name: (Z)-4-hydroxy-4-phenyl-3-buten-2-one; zirconium IUPAC Name: (Z)-4-hydroxy-4-phenylbut-3-en-2-one; zirconium Traditional Name: (Z)-4-hydroxy-4-phenyl-but-3-en-2-one; zirconium Formula: C40H40O8Zr MolecularWeight: 739.9648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C10H10O2.Zr/c4*1-8(11)7-10(12)9-5-3-2-4-6-9;/h4*2-7,12H,1H3;/b4*10-7-;