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(E)-3,3-dihexadecyl-1-oxidanyl-henicos-12-en-2-olate

(E)-3,3-dihexadecyl-1-oxidanyl-henicos-12-en-2-olate

Systemtic Name:(E)-3,3-dihexadecyl-1-oxidanyl-henicos-12-en-2-olate
Openeye Name:(E)-3,3-dihexadecyl-1-hydroxy-henicos-12-en-2-olate
CAS Name:(E)-3,3-dihexadecyl-1-hydroxy-12-heneicosen-2-olate
IUPAC Name:(E)-3,3-dihexadecyl-1-hydroxyhenicos-12-en-2-olate
Traditional Name:(E)-3,3-dicetyl-1-hydroxy-heneicos-12-en-2-olate
Formula: C53H105O2-
MolecularWeight: 774.3996
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(CCCCCCCCC=CCCCCCCCC)C(CO)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(CCCCCCCC/C=C/CCCCCCCC)C(CO)[O-]


InChI

InChI=1S/C53H105O2/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53(52(55)51-54,48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,52,54H,4-24,26-27,29-51H2,1-3H3/q-1/b28-25+


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