6-(4-chloranylphenoxy)-2-phenethylsulfonyl-hexanoic acid

Systemtic Name: 6-(4-chloranylphenoxy)-2-phenethylsulfonyl-hexanoic acid Openeye Name: 6-(4-chlorophenoxy)-2-phenethylsulfonyl-hexanoic acid CAS Name: 6-(4-chlorophenoxy)-2-phenethylsulfonylhexanoic acid IUPAC Name: 6-(4-chlorophenoxy)-2-phenethylsulfonylhexanoic acid Traditional Name: 6-(4-chlorophenoxy)-2-phenethylsulfonyl-hexanoic acid Formula: C20H23ClO5S MolecularWeight: 410.91162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)C(CCCCOC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)C(CCCCOC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C20H23ClO5S/c21-17-9-11-18(12-10-17)26-14-5-4-8-19(20(22)23)27(24,25)15-13-16-6-2-1-3-7-16/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,22,23)