[(2S,3S,5S)-5-methanoyl-2-pentyl-oxolan-3-yl] benzoate

Systemtic Name: [(2S,3S,5S)-5-methanoyl-2-pentyl-oxolan-3-yl] benzoate Openeye Name: [(2S,3S,5S)-5-formyl-2-pentyl-tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,5S)-5-formyl-2-pentyl-3-oxolanyl] ester IUPAC Name: [(2S,3S,5S)-5-formyl-2-pentyloxolan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,5S)-2-amyl-5-formyl-tetrahydrofuran-3-yl] ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(CC(O1)C=O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC[C@H]1[C@H](C[C@H](O1)C=O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22O4/c1-2-3-5-10-15-16(11-14(12-18)20-15)21-17(19)13-8-6-4-7-9-13/h4,6-9,12,14-16H,2-3,5,10-11H2,1H3/t14-,15-,16-/m0/s1