zinc 3,5-ditert-butyl-2-methyl-6-oxidanyl-benzoate hydrate

Systemtic Name: zinc 3,5-ditert-butyl-2-methyl-6-oxidanyl-benzoate hydrate Openeye Name: zinc 3,5-ditert-butyl-2-hydroxy-6-methyl-benzoate hydrate CAS Name: zinc 3,5-ditert-butyl-2-hydroxy-6-methylbenzoate hydrate IUPAC Name: zinc 3,5-ditert-butyl-2-hydroxy-6-methylbenzoate hydrate Traditional Name: zinc 3,5-ditert-butyl-2-hydroxy-6-methyl-benzoate hydrate Formula: C16H25O4Zn+ MolecularWeight: 346.7763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(C)(C)C)C(C)(C)C)O)C(=O)[O-].O.[Zn+2]

Isomeric SMILES

CC1=C(C(=C(C=C1C(C)(C)C)C(C)(C)C)O)C(=O)[O-].O.[Zn+2]

InChI

InChI=1S/C16H24O3.H2O.Zn/c1-9-10(15(2,3)4)8-11(16(5,6)7)13(17)12(9)14(18)19;;/h8,17H,1-7H3,(H,18,19);1H2;/q;;+2/p-1