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12-hexyl-13-oxidanylidene-triacontanoic acid

12-hexyl-13-oxidanylidene-triacontanoic acid

Systemtic Name:12-hexyl-13-oxidanylidene-triacontanoic acid
Openeye Name:12-hexyl-13-oxo-triacontanoic acid
CAS Name:12-hexyl-13-oxotriacontanoic acid
IUPAC Name:12-hexyl-13-oxotriacontanoic acid
Traditional Name:12-hexyl-13-keto-melissic acid
Formula: C36H70O3
MolecularWeight: 550.9392
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCC)CCCCCCCCCCC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCC)CCCCCCCCCCC(=O)O


InChI

InChI=1S/C36H70O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-24-28-32-35(37)34(30-26-8-6-4-2)31-27-23-20-18-19-22-25-29-33-36(38)39/h34H,3-33H2,1-2H3,(H,38,39)


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