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12-hexyl-2-oxidanyl-13-oxidanylidene-triacontanoic acid

12-hexyl-2-oxidanyl-13-oxidanylidene-triacontanoic acid

Systemtic Name:12-hexyl-2-oxidanyl-13-oxidanylidene-triacontanoic acid
Openeye Name:12-hexyl-2-hydroxy-13-oxo-triacontanoic acid
CAS Name:12-hexyl-2-hydroxy-13-oxotriacontanoic acid
IUPAC Name:12-hexyl-2-hydroxy-13-oxotriacontanoic acid
Traditional Name:12-hexyl-2-hydroxy-13-keto-melissic acid
Formula: C36H70O4
MolecularWeight: 566.9386
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCC)CCCCCCCCCC(C(=O)O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCC)CCCCCCCCCC(C(=O)O)O


InChI

InChI=1S/C36H70O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-27-31-34(37)33(29-25-8-6-4-2)30-26-22-19-18-21-24-28-32-35(38)36(39)40/h33,35,38H,3-32H2,1-2H3,(H,39,40)


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