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11,12,13-tri(octanoyloxy)tridecanoic acid

11,12,13-tri(octanoyloxy)tridecanoic acid

Systemtic Name:11,12,13-tri(octanoyloxy)tridecanoic acid
Openeye Name:11,12,13-tri(octanoyloxy)tridecanoic acid
CAS Name:11,12,13-tris(1-oxooctoxy)tridecanoic acid
IUPAC Name:11,12,13-tri(octanoyloxy)tridecanoic acid
Traditional Name:11,12,13-tricaprylyloxytridecanoic acid
Formula: C37H68O8
MolecularWeight: 640.93102
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(C(CCCCCCCCCC(=O)O)OC(=O)CCCCCCC)OC(=O)CCCCCCC


Isomeric SMILES

CCCCCCCC(=O)OCC(C(CCCCCCCCCC(=O)O)OC(=O)CCCCCCC)OC(=O)CCCCCCC


InChI

InChI=1S/C37H68O8/c1-4-7-10-16-23-28-35(40)43-31-33(45-37(42)30-25-18-12-9-6-3)32(44-36(41)29-24-17-11-8-5-2)26-21-19-14-13-15-20-22-27-34(38)39/h32-33H,4-31H2,1-3H3,(H,38,39)


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