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

Systemtic Name: 2-heptadecan-5-yloxy-3-oxidanylidene-3-thiophen-2-yl-propanoic acid Openeye Name: 2-(1-butyltridecoxy)-3-oxo-3-(2-thienyl)propanoic acid CAS Name: 2-heptadecan-5-yloxy-3-oxo-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-heptadecan-5-yloxy-3-oxo-3-thiophen-2-ylpropanoic acid Traditional Name: 2-(1-butyltridecoxy)-3-keto-3-(2-thienyl)propionic acid Formula: C24H40O4S MolecularWeight: 424.637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40O4S/c1-3-5-7-8-9-10-11-12-13-14-17-20(16-6-4-2)28-23(24(26)27)22(25)21-18-15-19-29-21/h15,18-20,23H,3-14,16-17H2,1-2H3,(H,26,27)