[4-(6-phenylhexoxy)phenyl] propane-1-sulfonate

Systemtic Name: [4-(6-phenylhexoxy)phenyl] propane-1-sulfonate Openeye Name: [4-(6-phenylhexoxy)phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [4-(6-phenylhexoxy)phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-(6-phenylhexoxy)phenyl] ester Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC=C(C=C1)OCCCCCCC2=CC=CC=C2

Isomeric SMILES

CCCS(=O)(=O)OC1=CC=C(C=C1)OCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C21H28O4S/c1-2-18-26(22,23)25-21-15-13-20(14-16-21)24-17-9-4-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-16H,2-4,6,9-10,17-18H2,1H3