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

Systemtic Name: 2-octyl-3,4,5-tris(oxidanyl)benzoate Openeye Name: 3,4,5-trihydroxy-2-octyl-benzoate CAS Name: 3,4,5-trihydroxy-2-octylbenzoate IUPAC Name: 3,4,5-trihydroxy-2-octylbenzoate Traditional Name: 3,4,5-trihydroxy-2-octyl-benzoate Formula: C15H21O5- MolecularWeight: 281.32424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])O)O)O

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])O)O)O

InChI

InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-10-11(15(19)20)9-12(16)14(18)13(10)17/h9,16-18H,2-8H2,1H3,(H,19,20)/p-1