4-pentylperoxy-3-sulfo-benzoic acid

Systemtic Name: 4-pentylperoxy-3-sulfo-benzoic acid Openeye Name: 4-pentylperoxy-3-sulfo-benzoic acid CAS Name: 4-pentyldioxy-3-sulfobenzoic acid IUPAC Name: 4-pentylperoxy-3-sulfobenzoic acid Traditional Name: 4-amylperoxy-3-sulfo-benzoic acid Formula: C12H16O7S MolecularWeight: 304.31624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCOOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H16O7S/c1-2-3-4-7-18-19-10-6-5-9(12(13)14)8-11(10)20(15,16)17/h5-6,8H,2-4,7H2,1H3,(H,13,14)(H,15,16,17)