7-(4-methylphenoxy)-2-(4-methylphenyl)sulfonyl-heptanoic acid

Systemtic Name: 7-(4-methylphenoxy)-2-(4-methylphenyl)sulfonyl-heptanoic acid Openeye Name: 7-(4-methylphenoxy)-2-(p-tolylsulfonyl)heptanoic acid CAS Name: 7-(4-methylphenoxy)-2-(4-methylphenyl)sulfonylheptanoic acid IUPAC Name: 7-(4-methylphenoxy)-2-(4-methylphenyl)sulfonylheptanoic acid Traditional Name: 7-(4-methylphenoxy)-2-tosyl-enanthic acid Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H26O5S/c1-16-7-11-18(12-8-16)26-15-5-3-4-6-20(21(22)23)27(24,25)19-13-9-17(2)10-14-19/h7-14,20H,3-6,15H2,1-2H3,(H,22,23)