2-phenethylsulfonyl-6-phenoxy-heptanoic acid

Systemtic Name: 2-phenethylsulfonyl-6-phenoxy-heptanoic acid Openeye Name: 2-phenethylsulfonyl-6-phenoxy-heptanoic acid CAS Name: 2-phenethylsulfonyl-6-phenoxyheptanoic acid IUPAC Name: 2-phenethylsulfonyl-6-phenoxyheptanoic acid Traditional Name: 2-phenethylsulfonyl-6-phenoxy-enanthic acid Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C(=O)O)S(=O)(=O)CCC1=CC=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(CCCC(C(=O)O)S(=O)(=O)CCC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H26O5S/c1-17(26-19-12-6-3-7-13-19)9-8-14-20(21(22)23)27(24,25)16-15-18-10-4-2-5-11-18/h2-7,10-13,17,20H,8-9,14-16H2,1H3,(H,22,23)