4-(4-isothiocyanatophenyl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-(4-isothiocyanatophenyl)cyclohexane-1-carboxylic acid Openeye Name: 4-(4-isothiocyanatophenyl)cyclohexanecarboxylic acid CAS Name: 4-(4-isothiocyanatophenyl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-(4-isothiocyanatophenyl)cyclohexane-1-carboxylic acid Traditional Name: 4-(4-isothiocyanatophenyl)cyclohexanecarboxylic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=C(C=C2)N=C=S)C(=O)O

Isomeric SMILES

C1CC(CCC1C2=CC=C(C=C2)N=C=S)C(=O)O

InChI

InChI=1S/C14H15NO2S/c16-14(17)12-3-1-10(2-4-12)11-5-7-13(8-6-11)15-9-18/h5-8,10,12H,1-4H2,(H,16,17)