9,10-dithiocyanatooctadecanoic acid

Systemtic Name: 9,10-dithiocyanatooctadecanoic acid Openeye Name: 9,10-dithiocyanatooctadecanoic acid CAS Name: 9,10-dithiocyanatooctadecanoic acid IUPAC Name: 9,10-dithiocyanatooctadecanoic acid Traditional Name: 9,10-dithiocyanatostearic acid Formula: C20H34N2O2S2 MolecularWeight: 398.62616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCC(=O)O)SC#N)SC#N

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCC(=O)O)SC#N)SC#N

InChI

InChI=1S/C20H34N2O2S2/c1-2-3-4-5-7-10-13-18(25-16-21)19(26-17-22)14-11-8-6-9-12-15-20(23)24/h18-19H,2-15H2,1H3,(H,23,24)