6-(3-methyl-4-sulfo-phenyl)hexaneperoxoic acid

Systemtic Name: 6-(3-methyl-4-sulfo-phenyl)hexaneperoxoic acid Openeye Name: 6-(3-methyl-4-sulfo-phenyl)hexaneperoxoic acid CAS Name: 6-(3-methyl-4-sulfophenyl)hexaneperoxoic acid IUPAC Name: 6-(3-methyl-4-sulfophenyl)hexaneperoxoic acid Traditional Name: 6-(3-methyl-4-sulfo-phenyl)hexaneperoxoic acid Formula: C13H18O6S MolecularWeight: 302.34342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCCCCC(=O)OO)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)CCCCCC(=O)OO)S(=O)(=O)O

InChI

InChI=1S/C13H18O6S/c1-10-9-11(7-8-12(10)20(16,17)18)5-3-2-4-6-13(14)19-15/h7-9,15H,2-6H2,1H3,(H,16,17,18)