[5-[(4-pentan-2-ylphenyl)methyl]oxan-3-yl] nitrate

Systemtic Name: [5-[(4-pentan-2-ylphenyl)methyl]oxan-3-yl] nitrate Openeye Name: [5-[[4-(1-methylbutyl)phenyl]methyl]tetrahydropyran-3-yl] nitrate CAS Name: nitric acid [5-[(4-pentan-2-ylphenyl)methyl]-3-oxanyl] ester IUPAC Name: [5-[(4-pentan-2-ylphenyl)methyl]oxan-3-yl] nitrate Traditional Name: nitric acid [5-[4-(1-methylbutyl)benzyl]tetrahydropyran-3-yl] ester Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=C(C=C1)CC2CC(COC2)O[N+](=O)[O-]

Isomeric SMILES

CCCC(C)C1=CC=C(C=C1)CC2CC(COC2)O[N+](=O)[O-]

InChI

InChI=1S/C17H25NO4/c1-3-4-13(2)16-7-5-14(6-8-16)9-15-10-17(12-21-11-15)22-18(19)20/h5-8,13,15,17H,3-4,9-12H2,1-2H3