methyl 3-(3-ethylphenoxy)propane-1-sulfonate

Systemtic Name: methyl 3-(3-ethylphenoxy)propane-1-sulfonate Openeye Name: methyl 3-(3-ethylphenoxy)propane-1-sulfonate CAS Name: 3-(3-ethylphenoxy)-1-propanesulfonic acid IUPAC Name: methyl 3-(3-ethylphenoxy)propane-1-sulfonate Traditional Name: 3-(3-ethylphenoxy)propane-1-sulfonic acid methyl ester Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCCCS(=O)(=O)OC

Isomeric SMILES

CCC1=CC(=CC=C1)OCCCS(=O)(=O)OC

InChI

InChI=1S/C12H18O4S/c1-3-11-6-4-7-12(10-11)16-8-5-9-17(13,14)15-2/h4,6-7,10H,3,5,8-9H2,1-2H3