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(E)-2-(2-octan-3-yloxy-2-oxidanylidene-ethyl)tridec-4-enedioic acid

(E)-2-(2-octan-3-yloxy-2-oxidanylidene-ethyl)tridec-4-enedioic acid

Systemtic Name:(E)-2-(2-octan-3-yloxy-2-oxidanylidene-ethyl)tridec-4-enedioic acid
Openeye Name:(E)-2-[2-(1-ethylhexoxy)-2-oxo-ethyl]tridec-4-enedioic acid
CAS Name:(E)-2-(2-octan-3-yloxy-2-oxoethyl)-4-tridecenedioic acid
IUPAC Name:(E)-2-(2-octan-3-yloxy-2-oxoethyl)tridec-4-enedioic acid
Traditional Name:(E)-2-[2-(1-ethylhexoxy)-2-keto-ethyl]tridec-4-enedioic acid
Formula: C23H40O6
MolecularWeight: 412.5601
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)CC(CC=CCCCCCCCC(=O)O)C(=O)O


Isomeric SMILES

CCCCCC(CC)OC(=O)CC(C/C=C/CCCCCCCC(=O)O)C(=O)O


InChI

InChI=1S/C23H40O6/c1-3-5-12-16-20(4-2)29-22(26)18-19(23(27)28)15-13-10-8-6-7-9-11-14-17-21(24)25/h10,13,19-20H,3-9,11-12,14-18H2,1-2H3,(H,24,25)(H,27,28)/b13-10+


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