7-(4-chlorophenyl)-2-phenethylsulfonyl-heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-2-phenethylsulfonyl-heptanoic acid Openeye Name: 7-(4-chlorophenyl)-2-phenethylsulfonyl-heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-phenethylsulfonylheptanoic acid IUPAC Name: 7-(4-chlorophenyl)-2-phenethylsulfonylheptanoic acid Traditional Name: 7-(4-chlorophenyl)-2-phenethylsulfonyl-enanthic acid Formula: C21H25ClO4S MolecularWeight: 408.9388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)C(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)C(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

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