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4-[1-(2-phenethylphenoxy)-2-(phenylsulfonyl)ethyl]benzoic acid

4-[1-(2-phenethylphenoxy)-2-(phenylsulfonyl)ethyl]benzoic acid

Systemtic Name:4-[1-(2-phenethylphenoxy)-2-(phenylsulfonyl)ethyl]benzoic acid
Openeye Name:4-[2-(benzenesulfonyl)-1-(2-phenethylphenoxy)ethyl]benzoic acid
CAS Name:4-[2-(benzenesulfonyl)-1-(2-phenethylphenoxy)ethyl]benzoic acid
IUPAC Name:4-[2-(benzenesulfonyl)-1-(2-phenethylphenoxy)ethyl]benzoic acid
Traditional Name:4-[2-besyl-1-(2-phenethylphenoxy)ethyl]benzoic acid
Formula: C29H26O5S
MolecularWeight: 486.57874
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2OC(CS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2OC(CS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O


InChI

InChI=1S/C29H26O5S/c30-29(31)25-19-17-24(18-20-25)28(21-35(32,33)26-12-5-2-6-13-26)34-27-14-8-7-11-23(27)16-15-22-9-3-1-4-10-22/h1-14,17-20,28H,15-16,21H2,(H,30,31)


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