ethyl octanoate; methylbenzene

Systemtic Name: ethyl octanoate; methylbenzene Openeye Name: ethyl octanoate; toluene CAS Name: octanoic acid ethyl ester; toluene IUPAC Name: ethyl octanoate; toluene Traditional Name: caprylic acid ethyl ester; toluene Formula: C17H28O2 MolecularWeight: 264.40302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC.CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=O)OCC.CC1=CC=CC=C1

InChI

InChI=1S/C10H20O2.C7H8/c1-3-5-6-7-8-9-10(11)12-4-2;1-7-5-3-2-4-6-7/h3-9H2,1-2H3;2-6H,1H3