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isothiocyanato 4,4-dimethylpentanoate

isothiocyanato 4,4-dimethylpentanoate

Systemtic Name:isothiocyanato 4,4-dimethylpentanoate
Openeye Name:isothiocyanato 4,4-dimethylpentanoate
CAS Name:4,4-dimethylpentanoic acid isothiocyanato ester
IUPAC Name:isothiocyanato 4,4-dimethylpentanoate
Traditional Name:4,4-dimethylvaleric acid isothiocyanato ester
Formula: C8H13NO2S
MolecularWeight: 187.25932
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCC(=O)ON=C=S


Isomeric SMILES

CC(C)(C)CCC(=O)ON=C=S


InChI

InChI=1S/C8H13NO2S/c1-8(2,3)5-4-7(10)11-9-6-12/h4-5H2,1-3H3


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