2-[(E)-hexadec-1-enyl]oxan-3-ol nitrate

Systemtic Name: 2-[(E)-hexadec-1-enyl]oxan-3-ol nitrate Openeye Name: 2-[(E)-hexadec-1-enyl]tetrahydropyran-3-ol nitrate CAS Name: 2-[(E)-hexadec-1-enyl]-3-oxanol nitrate IUPAC Name: 2-[(E)-hexadec-1-enyl]oxan-3-ol nitrate Traditional Name: 2-[(E)-hexadec-1-enyl]tetrahydropyran-3-ol nitrate Formula: C21H40NO5- MolecularWeight: 386.546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CC1C(CCCO1)O.[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/C1C(CCCO1)O.[N+](=O)([O-])[O-]

InChI

InChI=1S/C21H40O2.NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-20(22)17-16-19-23-21;2-1(3)4/h15,18,20-22H,2-14,16-17,19H2,1H3;/q;-1/b18-15+;