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octyl 3-isothiocyanatobenzoate

octyl 3-isothiocyanatobenzoate

Systemtic Name:octyl 3-isothiocyanatobenzoate
Openeye Name:octyl 3-isothiocyanatobenzoate
CAS Name:3-isothiocyanatobenzoic acid octyl ester
IUPAC Name:octyl 3-isothiocyanatobenzoate
Traditional Name:3-isothiocyanatobenzoic acid octyl ester
Formula: C16H21NO2S
MolecularWeight: 291.40844
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=CC=C1)N=C=S


Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=CC=C1)N=C=S


InChI

InChI=1S/C16H21NO2S/c1-2-3-4-5-6-7-11-19-16(18)14-9-8-10-15(12-14)17-13-20/h8-10,12H,2-7,11H2,1H3


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