[(2R)-2-oxidanylnon-4-ynyl] benzoate

Systemtic Name: [(2R)-2-oxidanylnon-4-ynyl] benzoate Openeye Name: [(2R)-2-hydroxynon-4-ynyl] benzoate CAS Name: benzoic acid [(2R)-2-hydroxynon-4-ynyl] ester IUPAC Name: [(2R)-2-hydroxynon-4-ynyl] benzoate Traditional Name: benzoic acid [(2R)-2-hydroxynon-4-ynyl] ester Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCC(COC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCC#CC[C@H](COC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C16H20O3/c1-2-3-4-5-9-12-15(17)13-19-16(18)14-10-7-6-8-11-14/h6-8,10-11,15,17H,2-4,12-13H2,1H3/t15-/m1/s1