ethyl 4-oct-1-ynylbenzoate

Systemtic Name: ethyl 4-oct-1-ynylbenzoate Openeye Name: ethyl 4-oct-1-ynylbenzoate CAS Name: 4-oct-1-ynylbenzoic acid ethyl ester IUPAC Name: ethyl 4-oct-1-ynylbenzoate Traditional Name: 4-oct-1-ynylbenzoic acid ethyl ester Formula: C17H22O2 MolecularWeight: 258.35538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCCCCCC#CC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-15-11-13-16(14-12-15)17(18)19-4-2/h11-14H,3-8H2,1-2H3