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

Systemtic Name: 2-dodecan-5-ylsulfanyl-3-oxidanylidene-3-thiophen-2-yl-propanoic acid Openeye Name: 2-(1-butyloctylsulfanyl)-3-oxo-3-(2-thienyl)propanoic acid CAS Name: 2-(dodecan-5-ylthio)-3-oxo-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-dodecan-5-ylsulfanyl-3-oxo-3-thiophen-2-ylpropanoic acid Traditional Name: 2-(1-butyloctylthio)-3-keto-3-(2-thienyl)propionic acid Formula: C19H30O3S2 MolecularWeight: 370.5697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O3S2/c1-3-5-7-8-9-12-15(11-6-4-2)24-18(19(21)22)17(20)16-13-10-14-23-16/h10,13-15,18H,3-9,11-12H2,1-2H3,(H,21,22)