2-bromanyl-3,4-didecyl-benzenesulfonic acid

Systemtic Name: 2-bromanyl-3,4-didecyl-benzenesulfonic acid Openeye Name: 2-bromo-3,4-didecyl-benzenesulfonic acid CAS Name: 2-bromo-3,4-didecylbenzenesulfonic acid IUPAC Name: 2-bromo-3,4-didecylbenzenesulfonic acid Traditional Name: 2-bromo-3,4-didecyl-besylic acid Formula: C26H45BrO3S MolecularWeight: 517.6027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)Br)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)Br)CCCCCCCCCC

InChI

InChI=1S/C26H45BrO3S/c1-3-5-7-9-11-13-15-17-19-23-21-22-25(31(28,29)30)26(27)24(23)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3,(H,28,29,30)