methyl 3-(3-propan-2-ylphenoxy)propane-1-sulfonate

Systemtic Name: methyl 3-(3-propan-2-ylphenoxy)propane-1-sulfonate Openeye Name: methyl 3-(3-isopropylphenoxy)propane-1-sulfonate CAS Name: 3-(3-propan-2-ylphenoxy)-1-propanesulfonic acid IUPAC Name: methyl 3-(3-propan-2-ylphenoxy)propane-1-sulfonate Traditional Name: 3-(3-isopropylphenoxy)propane-1-sulfonic acid methyl ester Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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