ethanoic acid; phenylmethanamine

Systemtic Name: ethanoic acid; phenylmethanamine Openeye Name: acetic acid; phenylmethanamine CAS Name: acetic acid; phenylmethanamine IUPAC Name: acetic acid; phenylmethanamine Traditional Name: acetic acid; benzylamine Formula: C11H17NO4 MolecularWeight: 227.25698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C7H9N.2C2H4O2/c8-6-7-4-2-1-3-5-7;2*1-2(3)4/h1-5H,6,8H2;2*1H3,(H,3,4)