ethyl ethanoate; methylbenzene

Systemtic Name: ethyl ethanoate; methylbenzene Openeye Name: ethyl acetate; toluene CAS Name: acetic acid ethyl ester; toluene IUPAC Name: ethyl acetate; toluene Traditional Name: acetic acid ethyl ester; toluene Formula: C67H80O2 MolecularWeight: 917.3509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/9C7H8.C4H8O2/c9*1-7-5-3-2-4-6-7;1-3-6-4(2)5/h9*2-6H,1H3;3H2,1-2H3