butanoate; hexane; methylbenzene

Systemtic Name: butanoate; hexane; methylbenzene Openeye Name: butanoate; hexane; toluene CAS Name: butanoate; hexane; toluene IUPAC Name: butanoate; hexane; toluene Traditional Name: butyrate; n-hexane; toluene Formula: C17H29O2- MolecularWeight: 265.41096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.C6H14.C4H8O2/c1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-2-3-4(5)6/h2-6H,1H3;3-6H2,1-2H3;2-3H2,1H3,(H,5,6)/p-1