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13-oxidanylidenehexatetracontanoic acid

Systemtic Name:	13-oxidanylidenehexatetracontanoic acid
Openeye Name:	13-oxohexatetracontanoic acid
CAS Name:	13-oxohexatetracontanoic acid
IUPAC Name:	13-oxohexatetracontanoic acid
Traditional Name:	13-ketohexatetracontanoic acid
Formula:	C₄₆H₉₀O₃
MolecularWeight:	691.205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCC(=O)O

InChI

InChI=1S/C46H90O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-33-36-39-42-45(47)43-40-37-34-31-29-32-35-38-41-44-46(48)49/h2-44H2,1H3,(H,48,49)

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