4-pentyl-3-sulfo-benzenecarboperoxoic acid

Systemtic Name: 4-pentyl-3-sulfo-benzenecarboperoxoic acid Openeye Name: 4-pentyl-3-sulfo-benzenecarboperoxoic acid CAS Name: 4-pentyl-3-sulfobenzenecarboperoxoic acid IUPAC Name: 4-pentyl-3-sulfobenzenecarboperoxoic acid Traditional Name: 4-amyl-3-sulfo-perbenzoic acid Formula: C12H16O6S MolecularWeight: 288.31684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C(=O)OO)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C(=O)OO)S(=O)(=O)O

InChI

InChI=1S/C12H16O6S/c1-2-3-4-5-9-6-7-10(12(13)18-14)8-11(9)19(15,16)17/h6-8,14H,2-5H2,1H3,(H,15,16,17)