4-heptylperoxy-3-sulfo-benzoic acid

Systemtic Name: 4-heptylperoxy-3-sulfo-benzoic acid Openeye Name: 4-heptylperoxy-3-sulfo-benzoic acid CAS Name: 4-heptyldioxy-3-sulfobenzoic acid IUPAC Name: 4-heptylperoxy-3-sulfobenzoic acid Traditional Name: 4-heptylperoxy-3-sulfo-benzoic acid Formula: C14H20O7S MolecularWeight: 332.3694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCOOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H20O7S/c1-2-3-4-5-6-9-20-21-12-8-7-11(14(15)16)10-13(12)22(17,18)19/h7-8,10H,2-6,9H2,1H3,(H,15,16)(H,17,18,19)