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oxepan-2-one hydrate

oxepan-2-one hydrate

Systemtic Name:oxepan-2-one hydrate
Openeye Name:oxepan-2-one hydrate
CAS Name:2-oxepanone hydrate
IUPAC Name:oxepan-2-one hydrate
Traditional Name:oxepan-2-one hydrate
Formula: C12H22O5
MolecularWeight: 246.30008
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)OCC1.C1CCC(=O)OCC1.O


Isomeric SMILES

C1CCC(=O)OCC1.C1CCC(=O)OCC1.O


InChI

InChI=1S/2C6H10O2.H2O/c2*7-6-4-2-1-3-5-8-6;/h2*1-5H2;1H2


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