(2-nonylphenyl) 3-sulfooxybutanoate

Systemtic Name: (2-nonylphenyl) 3-sulfooxybutanoate Openeye Name: (2-nonylphenyl) 3-sulfooxybutanoate CAS Name: 3-sulfooxybutanoic acid (2-nonylphenyl) ester IUPAC Name: (2-nonylphenyl) 3-sulfooxybutanoate Traditional Name: 3-sulfoxybutyric acid (2-nonylphenyl) ester Formula: C19H30O6S MolecularWeight: 386.5029

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC(=O)CC(C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC(=O)CC(C)OS(=O)(=O)O

InChI

InChI=1S/C19H30O6S/c1-3-4-5-6-7-8-9-12-17-13-10-11-14-18(17)24-19(20)15-16(2)25-26(21,22)23/h10-11,13-14,16H,3-9,12,15H2,1-2H3,(H,21,22,23)