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(1S,2R)-2-[(4-thiocyanatophenyl)carbamoyl]cyclohexane-1-carboxylic acid
(1S,2R)-2-[(4-thiocyanatophenyl)carbamoyl]cyclohexane-1-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)SC#N)C(=O)O
Isomeric SMILES
C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)SC#N)C(=O)O
InChI
InChI=1S/C15H16N2O3S/c16-9-21-11-7-5-10(6-8-11)17-14(18)12-3-1-2-4-13(12)15(19)20/h5-8,12-13H,1-4H2,(H,17,18)(H,19,20)/t12-,13+/m1/s1
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