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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:32583 - calcium sulfate dihydrate
Main
ChEBI Ontology
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ChEBI Name
calcium sulfate dihydrate
ChEBI ID
CHEBI:32583
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This entity has been manually annotated by the ChEBI Team.
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Formula
CaH4O6S
Net Charge
0
Average Mass
172.17216
Monoisotopic Mass
171.93545
InChI
InChI=1S/Ca.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2/q+2;;;/p-2
InChIKey
PASHVRUKOFIRIK-UHFFFAOYSA-L
SMILES
[Ca++].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O
ChEBI Ontology
Outgoing
calcium sulfate dihydrate (
CHEBI:32583
)
has part
calcium sulfate (
CHEBI:31346
)
calcium sulfate dihydrate (
CHEBI:32583
)
is a
calcium salt (
CHEBI:35156
)
calcium sulfate dihydrate (
CHEBI:32583
)
is a
hydrate (
CHEBI:35505
)
Incoming
gypsum (
CHEBI:48838
)
is a
calcium sulfate dihydrate (
CHEBI:32583
)
IUPAC Name
calcium sulfate—water (1/2)
Synonyms
Sources
calcium sulfate dihydrate
IUPAC
calcium(
II
) sulfate, dihydrate (1:1:2)
ChemIDplus
CaSO
4
·2H
2
O
IUPAC
sulfuric acid, calcium salt (1:1), dihydrate
ChemIDplus
sulfuric acid, calcium(2+) salt, dihydrate
ChemIDplus
Manual Xref
Database
1318
PPDB
View more database links
Registry Numbers
Types
Sources
10101-41-4
CAS Registry Number
ChemIDplus
7487
Gmelin Registry Number
Gmelin
Last Modified
12 March 2008