4-[3-(4-phenoxyphenoxy)propyl]benzenesulfonate

Systemtic Name: 4-[3-(4-phenoxyphenoxy)propyl]benzenesulfonate Openeye Name: 4-[3-(4-phenoxyphenoxy)propyl]benzenesulfonate CAS Name: 4-[3-(4-phenoxyphenoxy)propyl]benzenesulfonate IUPAC Name: 4-[3-(4-phenoxyphenoxy)propyl]benzenesulfonate Traditional Name: 4-[3-(4-phenoxyphenoxy)propyl]besylate Formula: C21H19O5S- MolecularWeight: 383.43756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCCC3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCCC3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C21H20O5S/c22-27(23,24)21-14-8-17(9-15-21)5-4-16-25-18-10-12-20(13-11-18)26-19-6-2-1-3-7-19/h1-3,6-15H,4-5,16H2,(H,22,23,24)/p-1