2-(3-chloranyl-4-cyclohexyl-phenyl)-2-thiocyanato-ethanoic acid

Systemtic Name: 2-(3-chloranyl-4-cyclohexyl-phenyl)-2-thiocyanato-ethanoic acid Openeye Name: 2-(3-chloro-4-cyclohexyl-phenyl)-2-thiocyanato-acetic acid CAS Name: 2-(3-chloro-4-cyclohexylphenyl)-2-thiocyanatoacetic acid IUPAC Name: 2-(3-chloro-4-cyclohexylphenyl)-2-thiocyanatoacetic acid Traditional Name: 2-(3-chloro-4-cyclohexyl-phenyl)-2-thiocyanato-acetic acid Formula: C15H16ClNO2S MolecularWeight: 309.81104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2)C(C(=O)O)SC#N)Cl

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2)C(C(=O)O)SC#N)Cl

InChI

InChI=1S/C15H16ClNO2S/c16-13-8-11(14(15(18)19)20-9-17)6-7-12(13)10-4-2-1-3-5-10/h6-8,10,14H,1-5H2,(H,18,19)