aluminum; 5-methyl-1-oxidanyl-4-(2-oxidanylethanoyl)-2-phenyl-pyrazol-3-one; [(E)-2-phenylethenyl]benzene

Systemtic Name: aluminum; 5-methyl-1-oxidanyl-4-(2-oxidanylethanoyl)-2-phenyl-pyrazol-3-one; [(E)-2-phenylethenyl]benzene Openeye Name: aluminum; 1-hydroxy-4-(2-hydroxyacetyl)-5-methyl-2-phenyl-pyrazol-3-one; (E)-stilbene CAS Name: aluminum; 1-hydroxy-4-(2-hydroxy-1-oxoethyl)-5-methyl-2-phenyl-3-pyrazolone; (E)-stilbene IUPAC Name: aluminum; 1-hydroxy-4-(2-hydroxyacetyl)-5-methyl-2-phenylpyrazol-3-one; (E)-stilbene Traditional Name: aluminum; 4-glycoloyl-1-hydroxy-5-methyl-2-phenyl-3-pyrazolin-3-one; (E)-stilbene Formula: C26H24AlN2O4+3 MolecularWeight: 455.461298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1O)C2=CC=CC=C2)C(=O)CO.C1=CC=C(C=C1)C=CC2=CC=CC=C2.[Al+3]

Isomeric SMILES

CC1=C(C(=O)N(N1O)C2=CC=CC=C2)C(=O)CO.C1=CC=C(C=C1)/C=C/C2=CC=CC=C2.[Al+3]

InChI

InChI=1S/C14H12.C12H12N2O4.Al/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-8-11(10(16)7-15)12(17)13(14(8)18)9-5-3-2-4-6-9;/h1-12H;2-6,15,18H,7H2,1H3;/q;;+3/b12-11+;;