Descriptors computed from structure, you can know some information about Ethynyloxybenzene (CAS NO.4279-76-9) : Canonical SMILES: C#COC1=CC=CC=C1 InChI: InChI=1S/C8H6O/c1-2-9-8-6-4-3-5-7-8/h1,3-7H InChIKey: HJCNOCJDGPFRNM-UHFFFAOYSA-N