2-ethyl-3-octadecyl-benzenesulfonic acid

Systemtic Name: 2-ethyl-3-octadecyl-benzenesulfonic acid Openeye Name: 2-ethyl-3-octadecyl-benzenesulfonic acid CAS Name: 2-ethyl-3-octadecylbenzenesulfonic acid IUPAC Name: 2-ethyl-3-octadecylbenzenesulfonic acid Traditional Name: 2-ethyl-3-stearyl-besylic acid Formula: C26H46O3S MolecularWeight: 438.70664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)CC

InChI

InChI=1S/C26H46O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23-26(25(24)4-2)30(27,28)29/h20,22-23H,3-19,21H2,1-2H3,(H,27,28,29)