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

Systemtic Name: 2-nonadecan-5-yloxy-3-oxidanylidene-3-thiophen-2-yl-propanoic acid Openeye Name: 2-(1-butylpentadecoxy)-3-oxo-3-(2-thienyl)propanoic acid CAS Name: 2-nonadecan-5-yloxy-3-oxo-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-nonadecan-5-yloxy-3-oxo-3-thiophen-2-ylpropanoic acid Traditional Name: 2-(1-butylpentadecoxy)-3-keto-3-(2-thienyl)propionic acid Formula: C26H44O4S MolecularWeight: 452.69016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44O4S/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-22(18-6-4-2)30-25(26(28)29)24(27)23-20-17-21-31-23/h17,20-22,25H,3-16,18-19H2,1-2H3,(H,28,29)