methylbenzene; octane

Systemtic Name: methylbenzene; octane Openeye Name: octane; toluene CAS Name: octane; toluene IUPAC Name: octane; toluene Traditional Name: n-octane; toluene Formula: C23H44 MolecularWeight: 320.59546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.CCCCCCCC.CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC.CCCCCCCC.CC1=CC=CC=C1

InChI

InChI=1S/2C8H18.C7H8/c2*1-3-5-7-8-6-4-2;1-7-5-3-2-4-6-7/h2*3-8H2,1-2H3;2-6H,1H3