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6-octadecoxy-2,5-bis(oxidanyl)hexane-1,2,3-tricarboxylic acid

6-octadecoxy-2,5-bis(oxidanyl)hexane-1,2,3-tricarboxylic acid

Systemtic Name:6-octadecoxy-2,5-bis(oxidanyl)hexane-1,2,3-tricarboxylic acid
Openeye Name:2,5-dihydroxy-6-octadecoxy-hexane-1,2,3-tricarboxylic acid
CAS Name:2,5-dihydroxy-6-octadecoxyhexane-1,2,3-tricarboxylic acid
IUPAC Name:2,5-dihydroxy-6-octadecoxyhexane-1,2,3-tricarboxylic acid
Traditional Name:2,5-dihydroxy-6-stearyloxy-hexane-1,2,3-tricarboxylic acid
Formula: C27H50O9
MolecularWeight: 518.6805
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CC(C(=O)O)C(CC(=O)O)(C(=O)O)O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CC(C(=O)O)C(CC(=O)O)(C(=O)O)O)O


InChI

InChI=1S/C27H50O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36-21-22(28)19-23(25(31)32)27(35,26(33)34)20-24(29)30/h22-23,28,35H,2-21H2,1H3,(H,29,30)(H,31,32)(H,33,34)


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