ethanenitrile; ethanoic acid; methylbenzene; oxolane; hydrate

Systemtic Name: ethanenitrile; ethanoic acid; methylbenzene; oxolane; hydrate Openeye Name: acetic acid; acetonitrile; tetrahydrofuran; toluene; hydrate CAS Name: acetic acid; acetonitrile; oxolane; toluene; hydrate IUPAC Name: acetic acid; acetonitrile; oxolane; toluene; hydrate Traditional Name: acetic acid; acetonitrile; tetrahydrofuran; toluene; hydrate Formula: C15H25NO4 MolecularWeight: 283.3633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC1=CC=CC=C1.CC(=O)O.C1CCOC1.O

Isomeric SMILES

CC#N.CC1=CC=CC=C1.CC(=O)O.C1CCOC1.O

InChI

InChI=1S/C7H8.C4H8O.C2H3N.C2H4O2.H2O/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;1-2-3;1-2(3)4;/h2-6H,1H3;1-4H2;1H3;1H3,(H,3,4);1H2