2-phenethylsulfonyl-8-phenyl-octanoic acid

Systemtic Name: 2-phenethylsulfonyl-8-phenyl-octanoic acid Openeye Name: 2-phenethylsulfonyl-8-phenyl-octanoic acid CAS Name: 2-phenethylsulfonyl-8-phenyloctanoic acid IUPAC Name: 2-phenethylsulfonyl-8-phenyloctanoic acid Traditional Name: 2-phenethylsulfonyl-8-phenyl-caprylic acid Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC(C(=O)O)S(=O)(=O)CCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC(C(=O)O)S(=O)(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H28O4S/c23-22(24)21(27(25,26)18-17-20-14-8-4-9-15-20)16-10-2-1-5-11-19-12-6-3-7-13-19/h3-4,6-9,12-15,21H,1-2,5,10-11,16-18H2,(H,23,24)