(2-decylphenyl) 3-sulfooxybutanoate

Systemtic Name: (2-decylphenyl) 3-sulfooxybutanoate Openeye Name: (2-decylphenyl) 3-sulfooxybutanoate CAS Name: 3-sulfooxybutanoic acid (2-decylphenyl) ester IUPAC Name: (2-decylphenyl) 3-sulfooxybutanoate Traditional Name: 3-sulfoxybutyric acid (2-decylphenyl) ester Formula: C20H32O6S MolecularWeight: 400.52948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=CC=C1OC(=O)CC(C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC=CC=C1OC(=O)CC(C)OS(=O)(=O)O

InChI

InChI=1S/C20H32O6S/c1-3-4-5-6-7-8-9-10-13-18-14-11-12-15-19(18)25-20(21)16-17(2)26-27(22,23)24/h11-12,14-15,17H,3-10,13,16H2,1-2H3,(H,22,23,24)