2-ethylhexan-1-ol; 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: 2-ethylhexan-1-ol; 3,4,5-tris(oxidanyl)benzoate Openeye Name: 2-ethylhexan-1-ol; 3,4,5-trihydroxybenzoate CAS Name: 2-ethyl-1-hexanol; 3,4,5-trihydroxybenzoate IUPAC Name: 2-ethylhexan-1-ol; 3,4,5-trihydroxybenzoate Traditional Name: 2-ethylhexan-1-ol; 3,4,5-trihydroxybenzoate Formula: C15H23O6- MolecularWeight: 299.33952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CO.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

Isomeric SMILES

CCCCC(CC)CO.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

InChI

InChI=1S/C8H18O.C7H6O5/c1-3-5-6-8(4-2)7-9;8-4-1-3(7(11)12)2-5(9)6(4)10/h8-9H,3-7H2,1-2H3;1-2,8-10H,(H,11,12)/p-1