7,12-diisothiocyanatododecan-6-yl thiocyanate

Systemtic Name: 7,12-diisothiocyanatododecan-6-yl thiocyanate Openeye Name: (2,7-diisothiocyanato-1-pentyl-heptyl) thiocyanate CAS Name: thiocyanic acid 7,12-diisothiocyanatododecan-6-yl ester IUPAC Name: 7,12-diisothiocyanatododecan-6-yl thiocyanate Traditional Name: thiocyanic acid (1-amyl-2,7-diisothiocyanato-heptyl) ester Formula: C15H23N3S3 MolecularWeight: 341.55822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CCCCCN=C=S)N=C=S)SC#N

Isomeric SMILES

CCCCCC(C(CCCCCN=C=S)N=C=S)SC#N

InChI

InChI=1S/C15H23N3S3/c1-2-3-5-9-15(21-11-16)14(18-13-20)8-6-4-7-10-17-12-19/h14-15H,2-10H2,1H3