cyclohexanamine; 2-oxidanylpropane-1-sulfonic acid

Systemtic Name: cyclohexanamine; 2-oxidanylpropane-1-sulfonic acid Openeye Name: cyclohexanamine; 2-hydroxypropane-1-sulfonic acid CAS Name: cyclohexanamine; 2-hydroxy-1-propanesulfonic acid IUPAC Name: cyclohexanamine; 2-hydroxypropane-1-sulfonic acid Traditional Name: cyclohexylamine; 2-hydroxypropane-1-sulfonic acid Formula: C9H21NO4S MolecularWeight: 239.33234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)O)O.C1CCC(CC1)N

Isomeric SMILES

CC(CS(=O)(=O)O)O.C1CCC(CC1)N

InChI

InChI=1S/C6H13N.C3H8O4S/c7-6-4-2-1-3-5-6;1-3(4)2-8(5,6)7/h6H,1-5,7H2;3-4H,2H2,1H3,(H,5,6,7)