1-(4-tert-butylphenyl)-2-phenyl-ethane-1,2-dione hydrate

Systemtic Name: 1-(4-tert-butylphenyl)-2-phenyl-ethane-1,2-dione hydrate Openeye Name: 1-(4-tert-butylphenyl)-2-phenyl-ethane-1,2-dione hydrate CAS Name: 1-(4-tert-butylphenyl)-2-phenylethane-1,2-dione hydrate IUPAC Name: 1-(4-tert-butylphenyl)-2-phenylethane-1,2-dione hydrate Traditional Name: 1-(4-tert-butylphenyl)-2-phenyl-ethane-1,2-dione hydrate Formula: C36H38O5 MolecularWeight: 550.68392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2.CC(C)(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2.O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2.CC(C)(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2.O

InChI

InChI=1S/2C18H18O2.H2O/c2*1-18(2,3)15-11-9-14(10-12-15)17(20)16(19)13-7-5-4-6-8-13;/h2*4-12H,1-3H3;1H2