hexazinc ethane hexabenzoate

Systemtic Name: hexazinc ethane hexabenzoate Openeye Name: hexazinc ethane hexabenzoate CAS Name: hexazinc ethane hexabenzoate IUPAC Name: hexazinc ethane hexabenzoate Traditional Name: hexazinc ethane hexabenzoate Formula: C54H60O12Zn6 MolecularWeight: 1293.501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]

Isomeric SMILES

C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]

InChI

InChI=1S/6C7H6O2.6C2H5.6Zn/c6*8-7(9)6-4-2-1-3-5-6;6*1-2;;;;;;/h6*1-5H,(H,8,9);6*1H2,2H3;;;;;;/q;;;;;;6*-1;6*+2/p-6