[2-(4-hexadecoxyphenyl)-2-oxidanylidene-ethyl] thiocyanate

Systemtic Name: [2-(4-hexadecoxyphenyl)-2-oxidanylidene-ethyl] thiocyanate Openeye Name: [2-(4-hexadecoxyphenyl)-2-oxo-ethyl] thiocyanate CAS Name: thiocyanic acid [2-(4-hexadecoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-hexadecoxyphenyl)-2-oxoethyl] thiocyanate Traditional Name: thiocyanic acid [2-(4-cetyloxyphenyl)-2-keto-ethyl] ester Formula: C25H39NO2S MolecularWeight: 417.64766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CSC#N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CSC#N

InChI

InChI=1S/C25H39NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-24-18-16-23(17-19-24)25(27)21-29-22-26/h16-19H,2-15,20-21H2,1H3