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3-octadecan-9-ylbenzene-1,2,4-tricarboxylate

3-octadecan-9-ylbenzene-1,2,4-tricarboxylate

Systemtic Name:3-octadecan-9-ylbenzene-1,2,4-tricarboxylate
Openeye Name:3-(1-octyldecyl)benzene-1,2,4-tricarboxylate
CAS Name:3-octadecan-9-ylbenzene-1,2,4-tricarboxylate
IUPAC Name:3-octadecan-9-ylbenzene-1,2,4-tricarboxylate
Traditional Name:3-(1-octyldecyl)benzene-1,2,4-tricarboxylate
Formula: C27H39O6-3
MolecularWeight: 459.59496
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)C1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]


Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)C1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C27H42O6/c1-3-5-7-9-11-13-15-17-20(16-14-12-10-8-6-4-2)23-21(25(28)29)18-19-22(26(30)31)24(23)27(32)33/h18-20H,3-17H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)/p-3


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