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

Systemtic Name: 2-hexadecyl-3,4,5-tris(oxidanyl)benzoate Openeye Name: 2-hexadecyl-3,4,5-trihydroxy-benzoate CAS Name: 2-hexadecyl-3,4,5-trihydroxybenzoate IUPAC Name: 2-hexadecyl-3,4,5-trihydroxybenzoate Traditional Name: 2-cetyl-3,4,5-trihydroxy-benzoate Formula: C23H37O5- MolecularWeight: 393.53688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])O)O)O

InChI

InChI=1S/C23H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-19(23(27)28)17-20(24)22(26)21(18)25/h17,24-26H,2-16H2,1H3,(H,27,28)/p-1