benzene-1,2-diol; butanoate; benzoate

Systemtic Name: benzene-1,2-diol; butanoate; benzoate Openeye Name: benzene-1,2-diol; butanoate; benzoate CAS Name: benzene-1,2-diol; butanoate; benzoate IUPAC Name: benzene-1,2-diol; butanoate; benzoate Traditional Name: butyrate; pyrocatechol; benzoate Formula: C17H18O6-2 MolecularWeight: 318.32122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C6H6O2.C4H8O2/c8-7(9)6-4-2-1-3-5-6;7-5-3-1-2-4-6(5)8;1-2-3-4(5)6/h1-5H,(H,8,9);1-4,7-8H;2-3H2,1H3,(H,5,6)/p-2