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

Systemtic Name: 7-(4-chloranylphenoxy)-2-(4-methylphenyl)sulfonyl-heptanoic acid Openeye Name: 7-(4-chlorophenoxy)-2-(p-tolylsulfonyl)heptanoic acid CAS Name: 7-(4-chlorophenoxy)-2-(4-methylphenyl)sulfonylheptanoic acid IUPAC Name: 7-(4-chlorophenoxy)-2-(4-methylphenyl)sulfonylheptanoic acid Traditional Name: 7-(4-chlorophenoxy)-2-tosyl-enanthic acid Formula: C20H23ClO5S MolecularWeight: 410.91162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCOC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCOC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C20H23ClO5S/c1-15-6-12-18(13-7-15)27(24,25)19(20(22)23)5-3-2-4-14-26-17-10-8-16(21)9-11-17/h6-13,19H,2-5,14H2,1H3,(H,22,23)