2-tetradecyloctadecyl 2-sulfooxyhexanoate

Systemtic Name: 2-tetradecyloctadecyl 2-sulfooxyhexanoate Openeye Name: 2-tetradecyloctadecyl 2-sulfooxyhexanoate CAS Name: 2-sulfooxyhexanoic acid 2-tetradecyloctadecyl ester IUPAC Name: 2-tetradecyloctadecyl 2-sulfooxyhexanoate Traditional Name: 2-sulfoxyhexanoic acid 2-myristyloctadecyl ester Formula: C38H76O6S MolecularWeight: 661.07144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H76O6S/c1-4-7-10-12-14-16-18-20-21-23-25-27-29-31-33-36(32-30-28-26-24-22-19-17-15-13-11-8-5-2)35-43-38(39)37(34-9-6-3)44-45(40,41)42/h36-37H,4-35H2,1-3H3,(H,40,41,42)