(phenylmethyl) 2-hex-1-ynylbenzoate

Systemtic Name: (phenylmethyl) 2-hex-1-ynylbenzoate Openeye Name: benzyl 2-hex-1-ynylbenzoate CAS Name: 2-hex-1-ynylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-hex-1-ynylbenzoate Traditional Name: 2-hex-1-ynylbenzoic acid benzyl ester Formula: C20H20O2 MolecularWeight: 292.3716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=CC=C1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC#CC1=CC=CC=C1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H20O2/c1-2-3-4-8-13-18-14-9-10-15-19(18)20(21)22-16-17-11-6-5-7-12-17/h5-7,9-12,14-15H,2-4,16H2,1H3