3-(3-hexadecan-5-ylsulfanylthiophen-2-yl)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(3-hexadecan-5-ylsulfanylthiophen-2-yl)-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-(1-butyldodecylsulfanyl)-2-thienyl]-3-oxo-propanoic acid CAS Name: 3-[3-(hexadecan-5-ylthio)-2-thiophenyl]-3-oxopropanoic acid IUPAC Name: 3-(3-hexadecan-5-ylsulfanylthiophen-2-yl)-3-oxopropanoic acid Traditional Name: 3-[3-(1-butyldodecylthio)-2-thienyl]-3-keto-propionic acid Formula: C23H38O3S2 MolecularWeight: 426.67602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCC)SC1=C(SC=C1)C(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCC(CCCC)SC1=C(SC=C1)C(=O)CC(=O)O

InChI

InChI=1S/C23H38O3S2/c1-3-5-7-8-9-10-11-12-13-15-19(14-6-4-2)28-21-16-17-27-23(21)20(24)18-22(25)26/h16-17,19H,3-15,18H2,1-2H3,(H,25,26)