hexazinc oxolane octabenzoate disulfide

Systemtic Name: hexazinc oxolane octabenzoate disulfide Openeye Name: hexazinc tetrahydrofuran octabenzoate disulfide CAS Name: hexazinc oxolane octabenzoate disulfide IUPAC Name: hexazinc oxolane octabenzoate disulfide Traditional Name: hexazinc tetrahydrofuran octabenzoate disulfide Formula: C64H56O18S2Zn6 MolecularWeight: 1569.70264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC1.C1CCOC1.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-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[S-2].[S-2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]

Isomeric SMILES

C1CCOC1.C1CCOC1.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-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[S-2].[S-2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]

InChI

InChI=1S/8C7H6O2.2C4H8O.2S.6Zn/c8*8-7(9)6-4-2-1-3-5-6;2*1-2-4-5-3-1;;;;;;;;/h8*1-5H,(H,8,9);2*1-4H2;;;;;;;;/q;;;;;;;;;;2*-2;6*+2/p-8