butane; 1-chloranylbutane; hydrate

Systemtic Name: butane; 1-chloranylbutane; hydrate Openeye Name: butane; 1-chlorobutane; hydrate CAS Name: butane; 1-chlorobutane; hydrate IUPAC Name: butane; 1-chlorobutane; hydrate Traditional Name: 1-chlorobutane; n-butane; hydrate Formula: C12H31ClO MolecularWeight: 226.82694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCCC.CCCCCl.O

Isomeric SMILES

CCCC.CCCC.CCCCCl.O

InChI

InChI=1S/C4H9Cl.2C4H10.H2O/c1-2-3-4-5;2*1-3-4-2;/h2-4H2,1H3;2*3-4H2,1-2H3;1H2