2-octadecan-5-yloxy-3-oxidanylidene-3-thiophen-2-yl-propanoic acid

Systemtic Name: 2-octadecan-5-yloxy-3-oxidanylidene-3-thiophen-2-yl-propanoic acid Openeye Name: 2-(1-butyltetradecoxy)-3-oxo-3-(2-thienyl)propanoic acid CAS Name: 2-octadecan-5-yloxy-3-oxo-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-octadecan-5-yloxy-3-oxo-3-thiophen-2-ylpropanoic acid Traditional Name: 2-(1-butyltetradecoxy)-3-keto-3-(2-thienyl)propionic acid Formula: C25H42O4S MolecularWeight: 438.66358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCC)OC(C(=O)C1=CC=CS1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(CCCC)OC(C(=O)C1=CC=CS1)C(=O)O

InChI

InChI=1S/C25H42O4S/c1-3-5-7-8-9-10-11-12-13-14-15-18-21(17-6-4-2)29-24(25(27)28)23(26)22-19-16-20-30-22/h16,19-21,24H,3-15,17-18H2,1-2H3,(H,27,28)