(E)-7-isothiocyanato-3,7-dimethyl-6-phenylselanyl-oct-2-enal

Systemtic Name: (E)-7-isothiocyanato-3,7-dimethyl-6-phenylselanyl-oct-2-enal Openeye Name: (E)-7-isothiocyanato-3,7-dimethyl-6-phenylselanyl-oct-2-enal CAS Name: (E)-7-isothiocyanato-3,7-dimethyl-6-(phenylseleno)-2-octenal IUPAC Name: (E)-7-isothiocyanato-3,7-dimethyl-6-phenylselanyloct-2-enal Traditional Name: (E)-7-isothiocyanato-3,7-dimethyl-6-(phenylseleno)oct-2-enal Formula: C17H21NOSSe MolecularWeight: 366.37974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NOSSe/c1-14(11-12-19)9-10-16(17(2,3)18-13-20)21-15-7-5-4-6-8-15/h4-8,11-12,16H,9-10H2,1-3H3/b14-11+