pentacalcium dicarbonate dihydroxide disulfate

Systemtic Name: pentacalcium dicarbonate dihydroxide disulfate Openeye Name: pentacalcium dicarbonate dihydroxide disulfate CAS Name: pentacalcium dicarbonate dihydroxide disulfate IUPAC Name: pentacalcium dicarbonate dihydroxide disulfate Traditional Name: pentacalcium dicarbonate dihydroxide disulfate Formula: C2H2Ca5O16S2 MolecularWeight: 546.54768

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Descriptors Computed from Structure

Canonical SMILES:

C(=O)([O-])[O-].C(=O)([O-])[O-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

C(=O)([O-])[O-].C(=O)([O-])[O-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/2CH2O3.5Ca.2H2O4S.2H2O/c2*2-1(3)4;;;;;;2*1-5(2,3)4;;/h2*(H2,2,3,4);;;;;;2*(H2,1,2,3,4);2*1H2/q;;5*+2;;;;/p-10