2-docosyl-3,4,5-tris(oxidanyl)oxan-2-olate

Systemtic Name: 2-docosyl-3,4,5-tris(oxidanyl)oxan-2-olate Openeye Name: 2-docosyl-3,4,5-trihydroxy-tetrahydropyran-2-olate CAS Name: 2-docosyl-3,4,5-trihydroxy-2-oxanolate IUPAC Name: 2-docosyl-3,4,5-trihydroxyoxan-2-olate Traditional Name: 2-behenyl-3,4,5-trihydroxy-tetrahydropyran-2-olate Formula: C27H53O5- MolecularWeight: 457.70672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1(C(C(C(CO1)O)O)O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1(C(C(C(CO1)O)O)O)[O-]

InChI

InChI=1S/C27H53O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)26(30)25(29)24(28)23-32-27/h24-26,28-30H,2-23H2,1H3/q-1