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

Systemtic Name: 7-(4-methoxyphenyl)-2-phenethylsulfonyl-heptanoic acid Openeye Name: 7-(4-methoxyphenyl)-2-phenethylsulfonyl-heptanoic acid CAS Name: 7-(4-methoxyphenyl)-2-phenethylsulfonylheptanoic acid IUPAC Name: 7-(4-methoxyphenyl)-2-phenethylsulfonylheptanoic acid Traditional Name: 7-(4-methoxyphenyl)-2-phenethylsulfonyl-enanthic acid Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCCC(C(=O)O)S(=O)(=O)CCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)CCCCCC(C(=O)O)S(=O)(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H28O5S/c1-27-20-14-12-19(13-15-20)10-6-3-7-11-21(22(23)24)28(25,26)17-16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16-17H2,1H3,(H,23,24)