butanoate; methylbenzene

Systemtic Name: butanoate; methylbenzene Openeye Name: butanoate; toluene CAS Name: butanoate; toluene IUPAC Name: butanoate; toluene Traditional Name: butyrate; toluene Formula: C11H15O2- MolecularWeight: 179.2356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[O-].CC1=CC=CC=C1

Isomeric SMILES

CCCC(=O)[O-].CC1=CC=CC=C1

InChI

InChI=1S/C7H8.C4H8O2/c1-7-5-3-2-4-6-7;1-2-3-4(5)6/h2-6H,1H3;2-3H2,1H3,(H,5,6)/p-1