(E)-7-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-hept-6-enoic acid

Systemtic Name: (E)-7-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-hept-6-enoic acid Openeye Name: (E)-7-(4-chlorophenyl)-2-(p-tolylsulfonyl)hept-6-enoic acid CAS Name: (E)-7-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-6-heptenoic acid IUPAC Name: (E)-7-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylhept-6-enoic acid Traditional Name: (E)-7-(4-chlorophenyl)-2-tosyl-hept-6-enoic acid Formula: C20H21ClO4S MolecularWeight: 392.89634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCC=CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCC/C=C/C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C20H21ClO4S/c1-15-7-13-18(14-8-15)26(24,25)19(20(22)23)6-4-2-3-5-16-9-11-17(21)12-10-16/h3,5,7-14,19H,2,4,6H2,1H3,(H,22,23)/b5-3+