benzenesulfonic acid; 3,5-dimethyladamantan-1-amine

Systemtic Name: benzenesulfonic acid; 3,5-dimethyladamantan-1-amine Openeye Name: benzenesulfonic acid; 3,5-dimethyladamantan-1-amine CAS Name: benzenesulfonic acid; 3,5-dimethyl-1-adamantanamine IUPAC Name: benzenesulfonic acid; 3,5-dimethyladamantan-1-amine Traditional Name: besylic acid; (3,5-dimethyl-1-adamantyl)amine Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)N)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)N)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H21N.C6H6O3S/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;7-10(8,9)6-4-2-1-3-5-6/h9H,3-8,13H2,1-2H3;1-5H,(H,7,8,9)