(2-dodecylphenyl) 2-sulfooxypropanoate

Systemtic Name: (2-dodecylphenyl) 2-sulfooxypropanoate Openeye Name: (2-dodecylphenyl) 2-sulfooxypropanoate CAS Name: 2-sulfooxypropanoic acid (2-dodecylphenyl) ester IUPAC Name: (2-dodecylphenyl) 2-sulfooxypropanoate Traditional Name: 2-sulfoxypropionic acid (2-laurylphenyl) ester Formula: C21H34O6S MolecularWeight: 414.55606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1OC(=O)C(C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1OC(=O)C(C)OS(=O)(=O)O

InChI

InChI=1S/C21H34O6S/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-17-20(19)26-21(22)18(2)27-28(23,24)25/h13-14,16-18H,3-12,15H2,1-2H3,(H,23,24,25)