(2-nonylphenyl) 2-sulfooxyhexanoate

Systemtic Name: (2-nonylphenyl) 2-sulfooxyhexanoate Openeye Name: (2-nonylphenyl) 2-sulfooxyhexanoate CAS Name: 2-sulfooxyhexanoic acid (2-nonylphenyl) ester IUPAC Name: (2-nonylphenyl) 2-sulfooxyhexanoate Traditional Name: 2-sulfoxyhexanoic acid (2-nonylphenyl) ester Formula: C21H34O6S MolecularWeight: 414.55606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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