3-(4-isothiocyanatophenoxy)cyclobutane-1-carboxylic acid

Systemtic Name: 3-(4-isothiocyanatophenoxy)cyclobutane-1-carboxylic acid Openeye Name: 3-(4-isothiocyanatophenoxy)cyclobutanecarboxylic acid CAS Name: 3-(4-isothiocyanatophenoxy)-1-cyclobutanecarboxylic acid IUPAC Name: 3-(4-isothiocyanatophenoxy)cyclobutane-1-carboxylic acid Traditional Name: 3-(4-isothiocyanatophenoxy)cyclobutanecarboxylic acid Formula: C12H11NO3S MolecularWeight: 249.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1OC2=CC=C(C=C2)N=C=S)C(=O)O

Isomeric SMILES

C1C(CC1OC2=CC=C(C=C2)N=C=S)C(=O)O

InChI

InChI=1S/C12H11NO3S/c14-12(15)8-5-11(6-8)16-10-3-1-9(2-4-10)13-7-17/h1-4,8,11H,5-6H2,(H,14,15)