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4-isothiocyanatobenzoate

Go to external page http://purl.obolibrary.org/obo/CHEBI_64463

The benzoate anion formed by proton loss from the carboxy group of 4-isothiocyanatobenzoic acid

Term info

Label

4-isothiocyanatobenzoate

Synonyms
  • 4-isothiocyanatobenzoate
database cross reference
Subsets

3_STAR

IUPAC NAME
4-isothiocyanatobenzoate [ IUPAC ]

charge

-1

formula

C8H4NO2S

has obo namespace

chebi_ontology

has related synonym

p-NCS-benzoate

id

CHEBI:64463

inchi

InChI=1S/C8H5NO2S/c10-8(11)6-1-3-7(4-2-6)9-5-12/h1-4H,(H,10,11)/p-1

inchikey

RBEFRYQKJYMLCC-UHFFFAOYSA-M

mass

178.18800

monoisotopicmass

177.99682

smiles

[O-]C(=O)c1ccc(cc1)N=C=S