N-cyclohexylcyclohexanamine; 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonic acid Openeye Name: N-cyclohexylcyclohexanamine; 4,7,7-trimethyl-3-oxo-norbornane-2-sulfonic acid CAS Name: N-cyclohexylcyclohexanamine; 4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanesulfonic acid IUPAC Name: N-cyclohexylcyclohexanamine; 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid Traditional Name: dicyclohexylamine; 3-keto-4,7,7-trimethyl-norbornane-2-sulfonic acid Formula: C22H39NO4S MolecularWeight: 413.61436

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2S(=O)(=O)O)C)C.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC1(C2CCC1(C(=O)C2S(=O)(=O)O)C)C.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C12H23N.C10H16O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14/h11-13H,1-10H2;6-7H,4-5H2,1-3H3,(H,12,13,14)