6-(3-methyl-2-sulfo-phenyl)peroxyhexanoic acid

Systemtic Name: 6-(3-methyl-2-sulfo-phenyl)peroxyhexanoic acid Openeye Name: 6-(3-methyl-2-sulfo-phenyl)peroxyhexanoic acid CAS Name: 6-(3-methyl-2-sulfophenyl)dioxyhexanoic acid IUPAC Name: 6-(3-methyl-2-sulfophenyl)peroxyhexanoic acid Traditional Name: 6-(3-methyl-2-sulfo-phenyl)peroxyhexanoic acid Formula: C13H18O7S MolecularWeight: 318.34282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OOCCCCCC(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)OOCCCCCC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H18O7S/c1-10-6-5-7-11(13(10)21(16,17)18)20-19-9-4-2-3-8-12(14)15/h5-7H,2-4,8-9H2,1H3,(H,14,15)(H,16,17,18)