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3-icosyl-2-methylidene-heptatriacontanoic acid

3-icosyl-2-methylidene-heptatriacontanoic acid

Systemtic Name:3-icosyl-2-methylidene-heptatriacontanoic acid
Openeye Name:3-icosyl-2-methylene-heptatriacontanoic acid
CAS Name:3-eicosyl-2-methyleneheptatriacontanoic acid
IUPAC Name:3-icosyl-2-methylideneheptatriacontanoic acid
Traditional Name:2-(1-arachylpentatriacontyl)acrylic acid
Formula: C58H114O2
MolecularWeight: 843.52456
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCC)C(=C)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCC)C(=C)C(=O)O


InChI

InChI=1S/C58H114O2/c1-4-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-55-57(56(3)58(59)60)54-52-50-48-46-44-42-40-38-23-21-19-17-15-13-11-9-7-5-2/h57H,3-55H2,1-2H3,(H,59,60)


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