[(E)-7-isothiocyanato-3,7-dimethyl-6-phenylselanyl-oct-2-enyl] ethanoate

Systemtic Name: [(E)-7-isothiocyanato-3,7-dimethyl-6-phenylselanyl-oct-2-enyl] ethanoate Openeye Name: [(E)-7-isothiocyanato-3,7-dimethyl-6-phenylselanyl-oct-2-enyl] acetate CAS Name: acetic acid [(E)-7-isothiocyanato-3,7-dimethyl-6-(phenylseleno)oct-2-enyl] ester IUPAC Name: [(E)-7-isothiocyanato-3,7-dimethyl-6-phenylselanyloct-2-enyl] acetate Traditional Name: acetic acid [(E)-7-isothiocyanato-3,7-dimethyl-6-(phenylseleno)oct-2-enyl] ester Formula: C19H25NO2SSe MolecularWeight: 410.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C)CCC(C(C)(C)N=C=S)[Se]C1=CC=CC=C1

Isomeric SMILES

C/C(=C\COC(=O)C)/CCC(C(C)(C)N=C=S)[Se]C1=CC=CC=C1

InChI

InChI=1S/C19H25NO2SSe/c1-15(12-13-22-16(2)21)10-11-18(19(3,4)20-14-23)24-17-8-6-5-7-9-17/h5-9,12,18H,10-11,13H2,1-4H3/b15-12+