aluminum (Z)-3-oxidanylidene-1,3-bis(2,4,6-trimethylphenyl)prop-1-en-1-olate

Systemtic Name: aluminum (Z)-3-oxidanylidene-1,3-bis(2,4,6-trimethylphenyl)prop-1-en-1-olate Openeye Name: aluminum (Z)-3-oxo-1,3-bis(2,4,6-trimethylphenyl)prop-1-en-1-olate CAS Name: aluminum (Z)-3-oxo-1,3-bis(2,4,6-trimethylphenyl)-1-propen-1-olate IUPAC Name: aluminum (Z)-3-oxo-1,3-bis(2,4,6-trimethylphenyl)prop-1-en-1-olate Traditional Name: aluminum (Z)-3-keto-1,3-dimesityl-prop-1-en-1-olate Formula: C63H69AlO6 MolecularWeight: 949.199898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=CC(=O)C2=C(C=C(C=C2C)C)C)[O-])C.CC1=CC(=C(C(=C1)C)C(=CC(=O)C2=C(C=C(C=C2C)C)C)[O-])C.CC1=CC(=C(C(=C1)C)C(=CC(=O)C2=C(C=C(C=C2C)C)C)[O-])C.[Al+3]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)/C(=C/C(=O)C2=C(C=C(C=C2C)C)C)/[O-])C.CC1=CC(=C(C(=C1)C)/C(=C/C(=O)C2=C(C=C(C=C2C)C)C)/[O-])C.CC1=CC(=C(C(=C1)C)/C(=C/C(=O)C2=C(C=C(C=C2C)C)C)/[O-])C.[Al+3]

InChI

InChI=1S/3C21H24O2.Al/c3*1-12-7-14(3)20(15(4)8-12)18(22)11-19(23)21-16(5)9-13(2)10-17(21)6;/h3*7-11,22H,1-6H3;/q;;;+3/p-3/b3*18-11-;