2-isothiocyanato-2,4,4,6,6-pentamethyl-heptane

Systemtic Name: 2-isothiocyanato-2,4,4,6,6-pentamethyl-heptane Openeye Name: 2-isothiocyanato-2,4,4,6,6-pentamethyl-heptane CAS Name: 2-isothiocyanato-2,4,4,6,6-pentamethylheptane IUPAC Name: 2-isothiocyanato-2,4,4,6,6-pentamethylheptane Traditional Name: 2-isothiocyanato-2,4,4,6,6-pentamethyl-heptane Formula: C13H25NS MolecularWeight: 227.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)CC(C)(C)N=C=S

Isomeric SMILES

CC(C)(C)CC(C)(C)CC(C)(C)N=C=S

InChI

InChI=1S/C13H25NS/c1-11(2,3)8-12(4,5)9-13(6,7)14-10-15/h8-9H2,1-7H3