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

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

Systemtic Name:12-hexyl-2-oxidanyl-13-oxidanylidene-tetratriacontanoic acid
Openeye Name:12-hexyl-2-hydroxy-13-oxo-tetratriacontanoic acid
CAS Name:12-hexyl-2-hydroxy-13-oxotetratriacontanoic acid
IUPAC Name:12-hexyl-2-hydroxy-13-oxotetratriacontanoic acid
Traditional Name:12-hexyl-2-hydroxy-13-keto-geddic acid
Formula: C40H78O4
MolecularWeight: 623.04492
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)C(CCCCCC)CCCCCCCCCC(C(=O)O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)C(CCCCCC)CCCCCCCCCC(C(=O)O)O


InChI

InChI=1S/C40H78O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-31-35-38(41)37(33-29-8-6-4-2)34-30-26-23-22-25-28-32-36-39(42)40(43)44/h37,39,42H,3-36H2,1-2H3,(H,43,44)


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