methylbenzene; methyl benzoate

Systemtic Name: methylbenzene; methyl benzoate Openeye Name: methyl benzoate; toluene CAS Name: benzoic acid methyl ester; toluene IUPAC Name: methyl benzoate; toluene Traditional Name: benzoic acid methyl ester; toluene Formula: C22H24O2 MolecularWeight: 320.42476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=CC=C1.COC(=O)C1=CC=CC=C1

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=CC=C1.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C8H8O2.2C7H8/c1-10-8(9)7-5-3-2-4-6-7;2*1-7-5-3-2-4-6-7/h2-6H,1H3;2*2-6H,1H3