[2-(2-phenylpropan-2-yl)phenoxy] propane-1-sulfonate

Systemtic Name: [2-(2-phenylpropan-2-yl)phenoxy] propane-1-sulfonate Openeye Name: [2-(1-methyl-1-phenyl-ethyl)phenoxy] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [2-(2-phenylpropan-2-yl)phenoxy] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (2-cumylphenoxy) ester Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OOC1=CC=CC=C1C(C)(C)C2=CC=CC=C2

Isomeric SMILES

CCCS(=O)(=O)OOC1=CC=CC=C1C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C18H22O4S/c1-4-14-23(19,20)22-21-17-13-9-8-12-16(17)18(2,3)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3