(4R,5S)-4-iodanyl-5-isothiocyanato-octane

Systemtic Name: (4R,5S)-4-iodanyl-5-isothiocyanato-octane Openeye Name: (4R,5S)-4-iodo-5-isothiocyanato-octane CAS Name: (4R,5S)-4-iodo-5-isothiocyanatooctane IUPAC Name: (4R,5S)-4-iodo-5-isothiocyanatooctane Traditional Name: (4R,5S)-4-iodo-5-isothiocyanato-octane Formula: C9H16INS MolecularWeight: 297.19951

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CCC)I)N=C=S

Isomeric SMILES

CCC[C@@H]([C@@H](CCC)I)N=C=S

InChI

InChI=1S/C9H16INS/c1-3-5-8(10)9(6-4-2)11-7-12/h8-9H,3-6H2,1-2H3/t8-,9+/m1/s1