4-isothiocyanatonaphthalene-1-carboxylic acid

Systemtic Name: 4-isothiocyanatonaphthalene-1-carboxylic acid Openeye Name: 4-isothiocyanatonaphthalene-1-carboxylic acid CAS Name: 4-isothiocyanato-1-naphthalenecarboxylic acid IUPAC Name: 4-isothiocyanatonaphthalene-1-carboxylic acid Traditional Name: 4-isothiocyanato-1-naphthoic acid Formula: C12H7NO2S MolecularWeight: 229.25448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N=C=S)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N=C=S)C(=O)O

InChI

InChI=1S/C12H7NO2S/c14-12(15)10-5-6-11(13-7-16)9-4-2-1-3-8(9)10/h1-6H,(H,14,15)