methylbenzene

Systemtic Name: methylbenzene Openeye Name: toluene CAS Name: toluene IUPAC Name: toluene Traditional Name: toluene Formula: C35H40 MolecularWeight: 460.6921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1

InChI

InChI=1S/5C7H8/c5*1-7-5-3-2-4-6-7/h5*2-6H,1H3