(phenylmethyl) 2,2-dimethylbut-3-ynoate

Systemtic Name: (phenylmethyl) 2,2-dimethylbut-3-ynoate Openeye Name: benzyl 2,2-dimethylbut-3-ynoate CAS Name: 2,2-dimethyl-3-butynoic acid (phenylmethyl) ester IUPAC Name: benzyl 2,2-dimethylbut-3-ynoate Traditional Name: 2,2-dimethylbut-3-ynoic acid benzyl ester Formula: C13H14O2 MolecularWeight: 202.24906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C#C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H14O2/c1-4-13(2,3)12(14)15-10-11-8-6-5-7-9-11/h1,5-9H,10H2,2-3H3