(2-tetradecylphenyl) 2-sulfooxyhexanoate

Systemtic Name: (2-tetradecylphenyl) 2-sulfooxyhexanoate Openeye Name: (2-tetradecylphenyl) 2-sulfooxyhexanoate CAS Name: 2-sulfooxyhexanoic acid (2-tetradecylphenyl) ester IUPAC Name: (2-tetradecylphenyl) 2-sulfooxyhexanoate Traditional Name: 2-sulfoxyhexanoic acid (2-myristylphenyl) ester Formula: C26H44O6S MolecularWeight: 484.68896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC=CC=C1OC(=O)C(CCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC=CC=C1OC(=O)C(CCCC)OS(=O)(=O)O

InChI

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