2-(phenylmethyl)hex-4-ynoic acid

Systemtic Name: 2-(phenylmethyl)hex-4-ynoic acid Openeye Name: 2-benzylhex-4-ynoic acid CAS Name: 2-(phenylmethyl)-4-hexynoic acid IUPAC Name: 2-benzylhex-4-ynoic acid Traditional Name: 2-benzylhex-4-ynoic acid Formula: C13H14O2 MolecularWeight: 202.24906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC#CCC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H14O2/c1-2-3-9-12(13(14)15)10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1H3,(H,14,15)