2-[3-(4-chlorophenyl)sulfonylpropyl]-6-phenyl-hexanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfonylpropyl]-6-phenyl-hexanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfonylpropyl]-6-phenyl-hexanoic acid CAS Name: 2-[3-(4-chlorophenyl)sulfonylpropyl]-6-phenylhexanoic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfonylpropyl]-6-phenylhexanoic acid Traditional Name: 2-[3-(4-chlorophenyl)sulfonylpropyl]-6-phenyl-hexanoic acid Formula: C21H25ClO4S MolecularWeight: 408.9388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(CCCS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(CCCS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C21H25ClO4S/c22-19-12-14-20(15-13-19)27(25,26)16-6-11-18(21(23)24)10-5-4-9-17-7-2-1-3-8-17/h1-3,7-8,12-15,18H,4-6,9-11,16H2,(H,23,24)