methylbenzene; 2,2,4-trimethylpentane

Systemtic Name: methylbenzene; 2,2,4-trimethylpentane Openeye Name: toluene; 2,2,4-trimethylpentane CAS Name: toluene; 2,2,4-trimethylpentane IUPAC Name: toluene; 2,2,4-trimethylpentane Traditional Name: toluene; 2,2,4-trimethylpentane Formula: C15H26 MolecularWeight: 206.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(C)CC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1.CC(C)CC(C)(C)C

InChI

InChI=1S/C8H18.C7H8/c1-7(2)6-8(3,4)5;1-7-5-3-2-4-6-7/h7H,6H2,1-5H3;2-6H,1H3