[(2R)-heptan-2-yl] 4-ethynylbenzoate

Systemtic Name: [(2R)-heptan-2-yl] 4-ethynylbenzoate Openeye Name: [(1R)-1-methylhexyl] 4-ethynylbenzoate CAS Name: 4-ethynylbenzoic acid [(2R)-heptan-2-yl] ester IUPAC Name: [(2R)-heptan-2-yl] 4-ethynylbenzoate Traditional Name: 4-ethynylbenzoic acid [(1R)-1-methylhexyl] ester Formula: C16H20O2 MolecularWeight: 244.3288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)C1=CC=C(C=C1)C#C

Isomeric SMILES

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

InChI

InChI=1S/C16H20O2/c1-4-6-7-8-13(3)18-16(17)15-11-9-14(5-2)10-12-15/h2,9-13H,4,6-8H2,1,3H3/t13-/m1/s1