2-(3-methylbutyl)-3,4,5-tris(oxidanyl)benzoate

Systemtic Name: 2-(3-methylbutyl)-3,4,5-tris(oxidanyl)benzoate Openeye Name: 3,4,5-trihydroxy-2-isopentyl-benzoate CAS Name: 3,4,5-trihydroxy-2-(3-methylbutyl)benzoate IUPAC Name: 3,4,5-trihydroxy-2-(3-methylbutyl)benzoate Traditional Name: 3,4,5-trihydroxy-2-isoamyl-benzoate Formula: C12H15O5- MolecularWeight: 239.2445

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C(=C(C=C1C(=O)[O-])O)O)O

Isomeric SMILES

CC(C)CCC1=C(C(=C(C=C1C(=O)[O-])O)O)O

InChI

InChI=1S/C12H16O5/c1-6(2)3-4-7-8(12(16)17)5-9(13)11(15)10(7)14/h5-6,13-15H,3-4H2,1-2H3,(H,16,17)/p-1