methylbenzene; methyl 2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: methylbenzene; methyl 2-oxidanyl-2-phenyl-ethanoate Openeye Name: methyl 2-hydroxy-2-phenyl-acetate; toluene CAS Name: 2-hydroxy-2-phenylacetic acid methyl ester; toluene IUPAC Name: methyl 2-hydroxy-2-phenylacetate; toluene Traditional Name: 2-hydroxy-2-phenyl-acetic acid methyl ester; toluene Formula: C16H18O3 MolecularWeight: 258.31232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O3.C7H8/c1-12-9(11)8(10)7-5-3-2-4-6-7;1-7-5-3-2-4-6-7/h2-6,8,10H,1H3;2-6H,1H3