(E)-1-isothiocyanatooctadec-9-en-1-one

Systemtic Name: (E)-1-isothiocyanatooctadec-9-en-1-one Openeye Name: (E)-octadec-9-enoyl isothiocyanate CAS Name: (E)-1-isothiocyanato-9-octadecen-1-one IUPAC Name: (E)-octadec-9-enoyl isothiocyanate Traditional Name: (E)-1-isothiocyanatooctadec-9-en-1-one Formula: C19H33NOS MolecularWeight: 323.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N=C=S

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)N=C=S

InChI

InChI=1S/C19H33NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)20-18-22/h9-10H,2-8,11-17H2,1H3/b10-9+