methylbenzene; (phenylmethyl) benzoate

Systemtic Name: methylbenzene; (phenylmethyl) benzoate Openeye Name: benzyl benzoate; toluene CAS Name: benzoic acid (phenylmethyl) ester; toluene IUPAC Name: benzyl benzoate; toluene Traditional Name: benzoic acid benzyl ester; toluene Formula: C21H20O2 MolecularWeight: 304.3823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1.C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H12O2.C7H8/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;1-7-5-3-2-4-6-7/h1-10H,11H2;2-6H,1H3