[1-(2-nonylphenoxy)-3-oxidanyl-propan-2-yl] propane-1-sulfonate

Systemtic Name: [1-(2-nonylphenoxy)-3-oxidanyl-propan-2-yl] propane-1-sulfonate Openeye Name: [1-(hydroxymethyl)-2-(2-nonylphenoxy)ethyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [1-hydroxy-3-(2-nonylphenoxy)propan-2-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [1-methylol-2-(2-nonylphenoxy)ethyl] ester Formula: C21H36O5S MolecularWeight: 400.57254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OCC(CO)OS(=O)(=O)CCC

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OCC(CO)OS(=O)(=O)CCC

InChI

InChI=1S/C21H36O5S/c1-3-5-6-7-8-9-10-13-19-14-11-12-15-21(19)25-18-20(17-22)26-27(23,24)16-4-2/h11-12,14-15,20,22H,3-10,13,16-18H2,1-2H3