methyl 4-azanylcyclohexane-1-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: methyl 4-azanylcyclohexane-1-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: methyl 4-aminocyclohexanecarboxylate; 4-methylbenzenesulfonic acid CAS Name: 4-amino-1-cyclohexanecarboxylic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: methyl 4-aminocyclohexane-1-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 4-aminocyclohexanecarboxylic acid methyl ester; tosylic acid Formula: C15H23NO5S MolecularWeight: 329.41182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)C1CCC(CC1)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)C1CCC(CC1)N

InChI

InChI=1S/C8H15NO2.C7H8O3S/c1-11-8(10)6-2-4-7(9)5-3-6;1-6-2-4-7(5-3-6)11(8,9)10/h6-7H,2-5,9H2,1H3;2-5H,1H3,(H,8,9,10)