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11-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]undecanoic acid

11-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]undecanoic acid

Systemtic Name:11-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]undecanoic acid
Openeye Name:11-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]undecanoic acid
CAS Name:11-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]undecanoic acid
IUPAC Name:11-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]undecanoic acid
Traditional Name:11-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]undecanoic acid
Formula: C26H40N2O3S
MolecularWeight: 460.6724
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCCCCCCCCCC(=O)O


Isomeric SMILES

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCCCCCCCCCC(=O)O


InChI

InChI=1S/C26H40N2O3S/c1-2-3-4-9-12-15-24-27-28-26(32-24)22-17-19-23(20-18-22)31-21-14-11-8-6-5-7-10-13-16-25(29)30/h17-20H,2-16,21H2,1H3,(H,29,30)


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