2,5-dimethyl-4-octadecyl-benzenesulfonic acid

Systemtic Name: 2,5-dimethyl-4-octadecyl-benzenesulfonic acid Openeye Name: 2,5-dimethyl-4-octadecyl-benzenesulfonic acid CAS Name: 2,5-dimethyl-4-octadecylbenzenesulfonic acid IUPAC Name: 2,5-dimethyl-4-octadecylbenzenesulfonic acid Traditional Name: 2,5-dimethyl-4-stearyl-besylic acid Formula: C26H46O3S MolecularWeight: 438.70664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1C)S(=O)(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1C)S(=O)(=O)O)C

InChI

InChI=1S/C26H46O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-24(3)26(22-23(25)2)30(27,28)29/h21-22H,4-20H2,1-3H3,(H,27,28,29)