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2,2,3-tri(octanoyloxy)-12,13-bis(oxidanyl)tridecanoic acid

2,2,3-tri(octanoyloxy)-12,13-bis(oxidanyl)tridecanoic acid

Systemtic Name:2,2,3-tri(octanoyloxy)-12,13-bis(oxidanyl)tridecanoic acid
Openeye Name:12,13-dihydroxy-2,2,3-tri(octanoyloxy)tridecanoic acid
CAS Name:12,13-dihydroxy-2,2,3-tris(1-oxooctoxy)tridecanoic acid
IUPAC Name:12,13-dihydroxy-2,2,3-tri(octanoyloxy)tridecanoic acid
Traditional Name:2,2,3-tricaprylyloxy-12,13-dihydroxy-tridecanoic acid
Formula: C37H68O10
MolecularWeight: 672.92982
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(CCCCCCCCC(CO)O)C(C(=O)O)(OC(=O)CCCCCCC)OC(=O)CCCCCCC


Isomeric SMILES

CCCCCCCC(=O)OC(CCCCCCCCC(CO)O)C(C(=O)O)(OC(=O)CCCCCCC)OC(=O)CCCCCCC


InChI

InChI=1S/C37H68O10/c1-4-7-10-15-22-27-33(40)45-32(26-21-19-14-13-18-20-25-31(39)30-38)37(36(43)44,46-34(41)28-23-16-11-8-5-2)47-35(42)29-24-17-12-9-6-3/h31-32,38-39H,4-30H2,1-3H3,(H,43,44)


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