2-tetradecyloctadecyl 2-sulfooxyoctanoate

Systemtic Name: 2-tetradecyloctadecyl 2-sulfooxyoctanoate Openeye Name: 2-tetradecyloctadecyl 2-sulfooxyoctanoate CAS Name: 2-sulfooxyoctanoic acid 2-tetradecyloctadecyl ester IUPAC Name: 2-tetradecyloctadecyl 2-sulfooxyoctanoate Traditional Name: 2-sulfoxycaprylic acid 2-myristyloctadecyl ester Formula: C40H80O6S MolecularWeight: 689.1246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)C(CCCCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)C(CCCCCC)OS(=O)(=O)O

InChI

InChI=1S/C40H80O6S/c1-4-7-10-13-15-17-19-21-22-24-26-28-30-32-35-38(34-31-29-27-25-23-20-18-16-14-11-8-5-2)37-45-40(41)39(46-47(42,43)44)36-33-12-9-6-3/h38-39H,4-37H2,1-3H3,(H,42,43,44)