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

Systemtic Name: ethyl 4-azanylcyclohexane-1-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 4-aminocyclohexanecarboxylate; 4-methylbenzenesulfonic acid CAS Name: 4-amino-1-cyclohexanecarboxylic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 4-aminocyclohexane-1-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 4-aminocyclohexanecarboxylic acid ethyl ester; tosylic acid Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO2.C7H8O3S/c1-2-12-9(11)7-3-5-8(10)6-4-7;1-6-2-4-7(5-3-6)11(8,9)10/h7-8H,2-6,10H2,1H3;2-5H,1H3,(H,8,9,10)