(2-decylphenyl) 2-sulfooxyhexanoate

Systemtic Name: (2-decylphenyl) 2-sulfooxyhexanoate Openeye Name: (2-decylphenyl) 2-sulfooxyhexanoate CAS Name: 2-sulfooxyhexanoic acid (2-decylphenyl) ester IUPAC Name: (2-decylphenyl) 2-sulfooxyhexanoate Traditional Name: 2-sulfoxyhexanoic acid (2-decylphenyl) ester Formula: C22H36O6S MolecularWeight: 428.58264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=CC=C1OC(=O)C(CCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC=CC=C1OC(=O)C(CCCC)OS(=O)(=O)O

InChI

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