hexane; 3-methylbutyl nitrite

Systemtic Name: hexane; 3-methylbutyl nitrite Openeye Name: hexane; isopentyl nitrite CAS Name: hexane; nitrous acid 3-methylbutyl ester IUPAC Name: hexane; 3-methylbutyl nitrite Traditional Name: n-hexane; nitrous acid isoamyl ester Formula: C11H25NO2 MolecularWeight: 203.3217

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CC(C)CCON=O

Isomeric SMILES

CCCCCC.CC(C)CCON=O

InChI

InChI=1S/C6H14.C5H11NO2/c1-3-5-6-4-2;1-5(2)3-4-8-6-7/h3-6H2,1-2H3;5H,3-4H2,1-2H3