(2-dodecylphenyl) 3-sulfooxybutanoate

Systemtic Name: (2-dodecylphenyl) 3-sulfooxybutanoate Openeye Name: (2-dodecylphenyl) 3-sulfooxybutanoate CAS Name: 3-sulfooxybutanoic acid (2-dodecylphenyl) ester IUPAC Name: (2-dodecylphenyl) 3-sulfooxybutanoate Traditional Name: 3-sulfoxybutyric acid (2-laurylphenyl) ester Formula: C22H36O6S MolecularWeight: 428.58264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1OC(=O)CC(C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1OC(=O)CC(C)OS(=O)(=O)O

InChI

InChI=1S/C22H36O6S/c1-3-4-5-6-7-8-9-10-11-12-15-20-16-13-14-17-21(20)27-22(23)18-19(2)28-29(24,25)26/h13-14,16-17,19H,3-12,15,18H2,1-2H3,(H,24,25,26)