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

Systemtic Name: 2-decan-5-yloxy-3-oxidanylidene-3-thiophen-2-yl-propanoic acid Openeye Name: 2-(1-butylhexoxy)-3-oxo-3-(2-thienyl)propanoic acid CAS Name: 2-decan-5-yloxy-3-oxo-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-decan-5-yloxy-3-oxo-3-thiophen-2-ylpropanoic acid Traditional Name: 2-(1-butylhexoxy)-3-keto-3-(2-thienyl)propionic acid Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O4S/c1-3-5-7-10-13(9-6-4-2)21-16(17(19)20)15(18)14-11-8-12-22-14/h8,11-13,16H,3-7,9-10H2,1-2H3,(H,19,20)