2-tetradecyloctadecyl 3-sulfooxybutanoate

Systemtic Name: 2-tetradecyloctadecyl 3-sulfooxybutanoate Openeye Name: 2-tetradecyloctadecyl 3-sulfooxybutanoate CAS Name: 3-sulfooxybutanoic acid 2-tetradecyloctadecyl ester IUPAC Name: 2-tetradecyloctadecyl 3-sulfooxybutanoate Traditional Name: 3-sulfoxybutyric acid 2-myristyloctadecyl ester Formula: C36H72O6S MolecularWeight: 633.01828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H72O6S/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-35(33-41-36(37)32-34(3)42-43(38,39)40)30-28-26-24-22-20-17-15-13-11-9-7-5-2/h34-35H,4-33H2,1-3H3,(H,38,39,40)