2-dodecan-4-ylsulfanyl-3-oxidanylidene-3-thiophen-2-yl-propanoic acid

Systemtic Name: 2-dodecan-4-ylsulfanyl-3-oxidanylidene-3-thiophen-2-yl-propanoic acid Openeye Name: 3-oxo-2-(1-propylnonylsulfanyl)-3-(2-thienyl)propanoic acid CAS Name: 2-(dodecan-4-ylthio)-3-oxo-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-dodecan-4-ylsulfanyl-3-oxo-3-thiophen-2-ylpropanoic acid Traditional Name: 3-keto-2-(1-propylnonylthio)-3-(2-thienyl)propionic acid Formula: C19H30O3S2 MolecularWeight: 370.5697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC)SC(C(=O)C1=CC=CS1)C(=O)O

Isomeric SMILES

CCCCCCCCC(CCC)SC(C(=O)C1=CC=CS1)C(=O)O

InChI

InChI=1S/C19H30O3S2/c1-3-5-6-7-8-9-12-15(11-4-2)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)