3-oxidanylidene-2-tetradecan-5-ylsulfanyl-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-oxidanylidene-2-tetradecan-5-ylsulfanyl-3-thiophen-2-yl-propanoic acid Openeye Name: 2-(1-butyldecylsulfanyl)-3-oxo-3-(2-thienyl)propanoic acid CAS Name: 3-oxo-2-(tetradecan-5-ylthio)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-oxo-2-tetradecan-5-ylsulfanyl-3-thiophen-2-ylpropanoic acid Traditional Name: 2-(1-butyldecylthio)-3-keto-3-(2-thienyl)propionic acid Formula: C21H34O3S2 MolecularWeight: 398.62286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCC)SC(C(=O)C1=CC=CS1)C(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCC)SC(C(=O)C1=CC=CS1)C(=O)O

InChI

InChI=1S/C21H34O3S2/c1-3-5-7-8-9-10-11-14-17(13-6-4-2)26-20(21(23)24)19(22)18-15-12-16-25-18/h12,15-17,20H,3-11,13-14H2,1-2H3,(H,23,24)