10,11-dithiocyanatoundecanoic acid

Systemtic Name: 10,11-dithiocyanatoundecanoic acid Openeye Name: 10,11-dithiocyanatoundecanoic acid CAS Name: 10,11-dithiocyanatoundecanoic acid IUPAC Name: 10,11-dithiocyanatoundecanoic acid Traditional Name: 10,11-dithiocyanatoundecanoic acid Formula: C13H20N2O2S2 MolecularWeight: 300.4401

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCC(=O)O)CCCC(CSC#N)SC#N

Isomeric SMILES

C(CCCCC(=O)O)CCCC(CSC#N)SC#N

InChI

InChI=1S/C13H20N2O2S2/c14-10-18-9-12(19-11-15)7-5-3-1-2-4-6-8-13(16)17/h12H,1-9H2,(H,16,17)