(2-dodecylphenyl) 2-sulfooxyoctanoate

Systemtic Name: (2-dodecylphenyl) 2-sulfooxyoctanoate Openeye Name: (2-dodecylphenyl) 2-sulfooxyoctanoate CAS Name: 2-sulfooxyoctanoic acid (2-dodecylphenyl) ester IUPAC Name: (2-dodecylphenyl) 2-sulfooxyoctanoate Traditional Name: 2-sulfoxycaprylic acid (2-laurylphenyl) ester Formula: C26H44O6S MolecularWeight: 484.68896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44O6S/c1-3-5-7-9-10-11-12-13-14-15-19-23-20-17-18-21-24(23)31-26(27)25(32-33(28,29)30)22-16-8-6-4-2/h17-18,20-21,25H,3-16,19,22H2,1-2H3,(H,28,29,30)