2,3,4,5,6-pentamethylbenzoate; thallium(1+)

Systemtic Name: 2,3,4,5,6-pentamethylbenzoate; thallium(1+) Openeye Name: 2,3,4,5,6-pentamethylbenzoate; thallium(1+) CAS Name: 2,3,4,5,6-pentamethylbenzoate; thallium(1+) IUPAC Name: 2,3,4,5,6-pentamethylbenzoate; thallium(1+) Traditional Name: 2,3,4,5,6-pentamethylbenzoate; thallium(1+) Formula: C12H15O2Tl MolecularWeight: 395.6296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2.Tl/c1-6-7(2)9(4)11(12(13)14)10(5)8(6)3;/h1-5H3,(H,13,14);/q;+1/p-1