hexan-1-ol; 2-oxidanylidene-2-phenyl-ethanoic acid

Systemtic Name: hexan-1-ol; 2-oxidanylidene-2-phenyl-ethanoic acid Openeye Name: hexan-1-ol; 2-oxo-2-phenyl-acetic acid CAS Name: 1-hexanol; 2-oxo-2-phenylacetic acid IUPAC Name: hexan-1-ol; 2-oxo-2-phenylacetic acid Traditional Name: hexan-1-ol; 2-keto-2-phenyl-acetic acid Formula: C22H26O7 MolecularWeight: 402.43764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H6O3.C6H14O/c2*9-7(8(10)11)6-4-2-1-3-5-6;1-2-3-4-5-6-7/h2*1-5H,(H,10,11);7H,2-6H2,1H3