(Q82006448)

English

calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate

chemical compound

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Statements

type of chemical entity

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chemical compound

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293.02459918000005 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₈H₁₅CaNO₆S

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based on heuristic

inferred from SMILES

canonical SMILES

CC(C)(CO)C([O-])C([O-])=NCCS(=O)(=O)O.[Ca+2]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C8H16NO6S.Ca/c1-8(2,5-10)6(11)7(12)9-3-4-16(13,14)15;/h6,10H,3-5H2,1-2H3,(H,9,12)(H,13,14,15);/q-1;+2/p-1

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RENGJRCTESDCSY-UHFFFAOYSA-M

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

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