4-heptyl-3-sulfo-benzenecarboperoxoic acid

Systemtic Name: 4-heptyl-3-sulfo-benzenecarboperoxoic acid Openeye Name: 4-heptyl-3-sulfo-benzenecarboperoxoic acid CAS Name: 4-heptyl-3-sulfobenzenecarboperoxoic acid IUPAC Name: 4-heptyl-3-sulfobenzenecarboperoxoic acid Traditional Name: 4-heptyl-3-sulfo-perbenzoic acid Formula: C14H20O6S MolecularWeight: 316.37

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C(=O)OO)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C(=O)OO)S(=O)(=O)O

InChI

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