ethanenitrile; heptane; methanoic acid; propan-2-ol

Systemtic Name: ethanenitrile; heptane; methanoic acid; propan-2-ol Openeye Name: acetonitrile; formic acid; heptane; propan-2-ol CAS Name: acetonitrile; formic acid; heptane; 2-propanol IUPAC Name: acetonitrile; formic acid; heptane; propan-2-ol Traditional Name: acetonitrile; formic acid; n-heptane; propan-2-ol Formula: C13H29NO3 MolecularWeight: 247.37426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC.CC#N.CC(C)O.C(=O)O

Isomeric SMILES

CCCCCCC.CC#N.CC(C)O.C(=O)O

InChI

InChI=1S/C7H16.C3H8O.C2H3N.CH2O2/c1-3-5-7-6-4-2;1-3(2)4;1-2-3;2-1-3/h3-7H2,1-2H3;3-4H,1-2H3;1H3;1H,(H,2,3)