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Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
Sulfuric acid, calcium salt, hydrate (2:2:1)
Synonyms
Names:
Sulfuric acid, calcium salt, hydrate (2:2:1)
Identifier:
IUPAC name
dicalcium;disulfate;hydrate
Identifier:
other: InChl
1S/2Ca.2H2O4S.H2O/c;;2*1-5(2,3)4;/h;;2*(H2,1,2,3,4);1H2/q2*+2;;;/p-4
Identifier:
other: Molecular formula
Ca.H2-O4-S.1/2H2-O
Identifier:
other: Molecular formula
H2CaO5S
Identifier:
other: InChl
InChI=1/Ca.H2O4S.H2O.2H/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);1H2;;/p-2/rCaH2.H2O4S.H2O/c;1-5(2,3)4;/h1H2;(H2,1,2,3,4);1H2/p-2
Identifier:
other: SMILES notation
O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ca+2].[Ca+2]
Identifier:
other: SMILES notation
[CaH2].O.[O-]S([O-])(=O)=O

CAS information

CAS number:
10034-76-1

Molecular and structural information

Molecular formula:
CaSO4·0.5H2O
Molecular weight:
145.15
SMILES notation:
not applicable
InChl:
not applicable
Structural formula:
Chemical structure