3-[4-(6-phenylhexoxy)phenyl]propane-1-sulfonate

Systemtic Name: 3-[4-(6-phenylhexoxy)phenyl]propane-1-sulfonate Openeye Name: 3-[4-(6-phenylhexoxy)phenyl]propane-1-sulfonate CAS Name: 3-[4-(6-phenylhexoxy)phenyl]-1-propanesulfonate IUPAC Name: 3-[4-(6-phenylhexoxy)phenyl]propane-1-sulfonate Traditional Name: 3-[4-(6-phenylhexoxy)phenyl]propane-1-sulfonate Formula: C21H27O4S- MolecularWeight: 375.50168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCOC2=CC=C(C=C2)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCOC2=CC=C(C=C2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C21H28O4S/c22-26(23,24)18-8-12-20-13-15-21(16-14-20)25-17-7-2-1-4-9-19-10-5-3-6-11-19/h3,5-6,10-11,13-16H,1-2,4,7-9,12,17-18H2,(H,22,23,24)/p-1