4-oxidanylpentacontane-1-sulfonic acid

Systemtic Name: 4-oxidanylpentacontane-1-sulfonic acid Openeye Name: 4-hydroxypentacontane-1-sulfonic acid CAS Name: 4-hydroxy-1-pentacontanesulfonic acid IUPAC Name: 4-hydroxypentacontane-1-sulfonic acid Traditional Name: 4-hydroxypentacontane-1-sulfonic acid Formula: C50H102O4S MolecularWeight: 799.40748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CCCS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CCCS(=O)(=O)O)O

InChI

InChI=1S/C50H102O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-50(51)48-46-49-55(52,53)54/h50-51H,2-49H2,1H3,(H,52,53,54)