(2-dodecylphenyl) 3-sulfooxypropanoate

Systemtic Name: (2-dodecylphenyl) 3-sulfooxypropanoate Openeye Name: (2-dodecylphenyl) 3-sulfooxypropanoate CAS Name: 3-sulfooxypropanoic acid (2-dodecylphenyl) ester IUPAC Name: (2-dodecylphenyl) 3-sulfooxypropanoate Traditional Name: 3-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)CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1OC(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C21H34O6S/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-13-16-20(19)27-21(22)17-18-26-28(23,24)25/h12-13,15-16H,2-11,14,17-18H2,1H3,(H,23,24,25)