2-(dioxidanylsulfonyl)-5-oxidanyl-benzenesulfonic acid; N-ethylethanamine

Systemtic Name: 2-(dioxidanylsulfonyl)-5-oxidanyl-benzenesulfonic acid; N-ethylethanamine Openeye Name: N-ethylethanamine; 2-hydroperoxysulfonyl-5-hydroxy-benzenesulfonic acid CAS Name: N-ethylethanamine; 2-hydroperoxysulfonyl-5-hydroxybenzenesulfonic acid IUPAC Name: N-ethylethanamine; 2-hydroperoxysulfonyl-5-hydroxybenzenesulfonic acid Traditional Name: diethylamine; 2-hydroperoxysulfonyl-5-hydroxy-besylic acid Formula: C14H28N2O8S2 MolecularWeight: 416.51072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCNCC.C1=CC(=C(C=C1O)S(=O)(=O)O)S(=O)(=O)OO

Isomeric SMILES

CCNCC.CCNCC.C1=CC(=C(C=C1O)S(=O)(=O)O)S(=O)(=O)OO

InChI

InChI=1S/C6H6O8S2.2C4H11N/c7-4-1-2-5(16(12,13)14-8)6(3-4)15(9,10)11;2*1-3-5-4-2/h1-3,7-8H,(H,9,10,11);2*5H,3-4H2,1-2H3