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12,13,14-tricarboxyoxy-11-ethyl-hexadecanoic acid

12,13,14-tricarboxyoxy-11-ethyl-hexadecanoic acid

Systemtic Name:12,13,14-tricarboxyoxy-11-ethyl-hexadecanoic acid
Openeye Name:12,13,14-tricarboxyoxy-11-ethyl-hexadecanoic acid
CAS Name:12,13,14-tricarboxyoxy-11-ethylhexadecanoic acid
IUPAC Name:12,13,14-tricarboxyoxy-11-ethylhexadecanoic acid
Traditional Name:12,13,14-tricarboxyoxy-11-ethyl-palmitic acid
Formula: C21H36O11
MolecularWeight: 464.50394
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCCCCC(=O)O)C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O


Isomeric SMILES

CCC(CCCCCCCCCC(=O)O)C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O


InChI

InChI=1S/C21H36O11/c1-3-14(12-10-8-6-5-7-9-11-13-16(22)23)17(31-20(26)27)18(32-21(28)29)15(4-2)30-19(24)25/h14-15,17-18H,3-13H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)


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