N-methylcyclohexanamine; 2-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid

Systemtic Name: N-methylcyclohexanamine; 2-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid Openeye Name: N-methylcyclohexanamine; 2-(1,3,5,7-tetramethyloctyl)benzenesulfonic acid CAS Name: N-methylcyclohexanamine; 2-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid IUPAC Name: N-methylcyclohexanamine; 2-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid Traditional Name: cyclohexyl(methyl)amine; 2-(1,3,5,7-tetramethyloctyl)besylic acid Formula: C25H45NO3S MolecularWeight: 439.6947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)CC(C)CC(C)C1=CC=CC=C1S(=O)(=O)O.CNC1CCCCC1

Isomeric SMILES

CC(C)CC(C)CC(C)CC(C)C1=CC=CC=C1S(=O)(=O)O.CNC1CCCCC1

InChI

InChI=1S/C18H30O3S.C7H15N/c1-13(2)10-14(3)11-15(4)12-16(5)17-8-6-7-9-18(17)22(19,20)21;1-8-7-5-3-2-4-6-7/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21);7-8H,2-6H2,1H3