methylbenzene; phenethylbenzene

Systemtic Name: methylbenzene; phenethylbenzene Openeye Name: phenethylbenzene; toluene CAS Name: phenethylbenzene; toluene IUPAC Name: phenethylbenzene; toluene Traditional Name: phenethylbenzene; toluene Formula: C21H22 MolecularWeight: 274.39938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC=C(C=C1)CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1.C1=CC=C(C=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C14H14.C7H8/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-7-5-3-2-4-6-7/h1-10H,11-12H2;2-6H,1H3