(2-tetradecylphenyl) 2-sulfooxyoctanoate

Systemtic Name: (2-tetradecylphenyl) 2-sulfooxyoctanoate Openeye Name: (2-tetradecylphenyl) 2-sulfooxyoctanoate CAS Name: 2-sulfooxyoctanoic acid (2-tetradecylphenyl) ester IUPAC Name: (2-tetradecylphenyl) 2-sulfooxyoctanoate Traditional Name: 2-sulfoxycaprylic acid (2-myristylphenyl) ester Formula: C28H48O6S MolecularWeight: 512.74212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48O6S/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-22-19-20-23-26(25)33-28(29)27(34-35(30,31)32)24-18-8-6-4-2/h19-20,22-23,27H,3-18,21,24H2,1-2H3,(H,30,31,32)