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

Systemtic Name: 2-icosyl-3,4,5-tris(oxidanyl)benzoate Openeye Name: 3,4,5-trihydroxy-2-icosyl-benzoate CAS Name: 2-eicosyl-3,4,5-trihydroxybenzoate IUPAC Name: 3,4,5-trihydroxy-2-icosylbenzoate Traditional Name: 2-arachyl-3,4,5-trihydroxy-benzoate Formula: C27H45O5- MolecularWeight: 449.6432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])O)O)O

InChI

InChI=1S/C27H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(27(31)32)21-24(28)26(30)25(22)29/h21,28-30H,2-20H2,1H3,(H,31,32)/p-1