4-ethylhexan-2-yl 4-ethynylbenzoate

Systemtic Name: 4-ethylhexan-2-yl 4-ethynylbenzoate Openeye Name: (3-ethyl-1-methyl-pentyl) 4-ethynylbenzoate CAS Name: 4-ethynylbenzoic acid 4-ethylhexan-2-yl ester IUPAC Name: 4-ethylhexan-2-yl 4-ethynylbenzoate Traditional Name: 4-ethynylbenzoic acid (3-ethyl-1-methyl-pentyl) ester Formula: C17H22O2 MolecularWeight: 258.35538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O2/c1-5-14(6-2)12-13(4)19-17(18)16-10-8-15(7-3)9-11-16/h3,8-11,13-14H,5-6,12H2,1-2,4H3