propyl 3-(3-methylphenoxy)propane-1-sulfonate

Systemtic Name: propyl 3-(3-methylphenoxy)propane-1-sulfonate Openeye Name: propyl 3-(3-methylphenoxy)propane-1-sulfonate CAS Name: 3-(3-methylphenoxy)-1-propanesulfonic acid IUPAC Name: propyl 3-(3-methylphenoxy)propane-1-sulfonate Traditional Name: 3-(3-methylphenoxy)propane-1-sulfonic acid propyl ester Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)CCCOC1=CC=CC(=C1)C

Isomeric SMILES

CCCOS(=O)(=O)CCCOC1=CC=CC(=C1)C

InChI

InChI=1S/C13H20O4S/c1-3-8-17-18(14,15)10-5-9-16-13-7-4-6-12(2)11-13/h4,6-7,11H,3,5,8-10H2,1-2H3