6-(3,5-dimethyl-2-sulfo-phenyl)hexaneperoxoic acid

Systemtic Name: 6-(3,5-dimethyl-2-sulfo-phenyl)hexaneperoxoic acid Openeye Name: 6-(3,5-dimethyl-2-sulfo-phenyl)hexaneperoxoic acid CAS Name: 6-(3,5-dimethyl-2-sulfophenyl)hexaneperoxoic acid IUPAC Name: 6-(3,5-dimethyl-2-sulfophenyl)hexaneperoxoic acid Traditional Name: 6-(3,5-dimethyl-2-sulfo-phenyl)hexaneperoxoic acid Formula: C14H20O6S MolecularWeight: 316.37

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O6S/c1-10-8-11(2)14(21(17,18)19)12(9-10)6-4-3-5-7-13(15)20-16/h8-9,16H,3-7H2,1-2H3,(H,17,18,19)