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

Systemtic Name: 3-oxidanylidene-2-pentadecan-5-yloxy-3-thiophen-2-yl-propanoic acid Openeye Name: 2-(1-butylundecoxy)-3-oxo-3-(2-thienyl)propanoic acid CAS Name: 3-oxo-2-pentadecan-5-yloxy-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-oxo-2-pentadecan-5-yloxy-3-thiophen-2-ylpropanoic acid Traditional Name: 2-(1-butylundecoxy)-3-keto-3-(2-thienyl)propionic acid Formula: C22H36O4S MolecularWeight: 396.58384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36O4S/c1-3-5-7-8-9-10-11-12-15-18(14-6-4-2)26-21(22(24)25)20(23)19-16-13-17-27-19/h13,16-18,21H,3-12,14-15H2,1-2H3,(H,24,25)