trizinc benzene-1,3-diol dichloride disulfate

Systemtic Name: trizinc benzene-1,3-diol dichloride disulfate Openeye Name: trizinc benzene-1,3-diol dichloride disulfate CAS Name: trizinc benzene-1,3-diol dichloride disulfate IUPAC Name: trizinc benzene-1,3-diol dichloride disulfate Traditional Name: trizinc resorcinol dichloride disulfate Formula: C18H18Cl2O14S2Zn3 MolecularWeight: 789.59012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H6O2.2ClH.2H2O4S.3Zn/c3*7-5-2-1-3-6(8)4-5;;;2*1-5(2,3)4;;;/h3*1-4,7-8H;2*1H;2*(H2,1,2,3,4);;;/q;;;;;;;3*+2/p-6