butanoate; ethanol; methylbenzene; tris(chloranyl)methane

Systemtic Name: butanoate; ethanol; methylbenzene; tris(chloranyl)methane Openeye Name: butanoate; chloroform; ethanol; toluene CAS Name: butanoate; chloroform; ethanol; toluene IUPAC Name: butanoate; chloroform; ethanol; toluene Traditional Name: butyrate; chloroform; ethanol; toluene Formula: C14H22Cl3O3- MolecularWeight: 344.68168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.C4H8O2.C2H6O.CHCl3/c1-7-5-3-2-4-6-7;1-2-3-4(5)6;1-2-3;2-1(3)4/h2-6H,1H3;2-3H2,1H3,(H,5,6);3H,2H2,1H3;1H/p-1