carbanide; methyl (2Z)-2,5-dimethyl-4-oxidanylidene-hexa-2,5-dienoate; titanium

Systemtic Name: carbanide; methyl (2Z)-2,5-dimethyl-4-oxidanylidene-hexa-2,5-dienoate; titanium Openeye Name: carbanide; methyl (2Z)-2,5-dimethyl-4-oxo-hexa-2,5-dienoate; titanium CAS Name: carbanide; (2Z)-2,5-dimethyl-4-oxohexa-2,5-dienoic acid methyl ester; titanium IUPAC Name: carbanide; methyl (2Z)-2,5-dimethyl-4-oxohexa-2,5-dienoate; titanium Traditional Name: carbanide; (2Z)-4-keto-2,5-dimethyl-hexa-2,5-dienoic acid methyl ester; titanium Formula: C12H21O3Ti-3 MolecularWeight: 261.16034

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].[CH3-].CC(=C)C(=O)C=C(C)C(=O)OC.[Ti]

Isomeric SMILES

[CH3-].[CH3-].[CH3-].CC(=C)C(=O)/C=C(/C)\C(=O)OC.[Ti]

InChI

InChI=1S/C9H12O3.3CH3.Ti/c1-6(2)8(10)5-7(3)9(11)12-4;;;;/h5H,1H2,2-4H3;3*1H3;/q;3*-1;/b7-5-;;;;