3-oxidanylidene-3-thiophen-2-yl-2-tridecan-3-yloxy-propanoic acid

Systemtic Name: 3-oxidanylidene-3-thiophen-2-yl-2-tridecan-3-yloxy-propanoic acid Openeye Name: 2-(1-ethylundecoxy)-3-oxo-3-(2-thienyl)propanoic acid CAS Name: 3-oxo-3-thiophen-2-yl-2-tridecan-3-yloxypropanoic acid IUPAC Name: 3-oxo-3-thiophen-2-yl-2-tridecan-3-yloxypropanoic acid Traditional Name: 2-(1-ethylundecoxy)-3-keto-3-(2-thienyl)propionic acid Formula: C20H32O4S MolecularWeight: 368.53068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O4S/c1-3-5-6-7-8-9-10-11-13-16(4-2)24-19(20(22)23)18(21)17-14-12-15-25-17/h12,14-16,19H,3-11,13H2,1-2H3,(H,22,23)