methylbenzene; octanoate

Systemtic Name: methylbenzene; octanoate Openeye Name: octanoate; toluene CAS Name: octanoate; toluene IUPAC Name: octanoate; toluene Traditional Name: caprylate; toluene Formula: C15H23O2- MolecularWeight: 235.34192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O2.C7H8/c1-2-3-4-5-6-7-8(9)10;1-7-5-3-2-4-6-7/h2-7H2,1H3,(H,9,10);2-6H,1H3/p-1