(2-tetradecylphenyl) 3-sulfooxybutanoate

Systemtic Name: (2-tetradecylphenyl) 3-sulfooxybutanoate Openeye Name: (2-tetradecylphenyl) 3-sulfooxybutanoate CAS Name: 3-sulfooxybutanoic acid (2-tetradecylphenyl) ester IUPAC Name: (2-tetradecylphenyl) 3-sulfooxybutanoate Traditional Name: 3-sulfoxybutyric acid (2-myristylphenyl) ester Formula: C24H40O6S MolecularWeight: 456.6358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22-18-15-16-19-23(22)29-24(25)20-21(2)30-31(26,27)28/h15-16,18-19,21H,3-14,17,20H2,1-2H3,(H,26,27,28)