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

Systemtic Name: 7-(2-chlorophenyl)-4-(4-methylphenyl)sulfonyl-hept-6-ynoic acid Openeye Name: 7-(2-chlorophenyl)-4-(p-tolylsulfonyl)hept-6-ynoic acid CAS Name: 7-(2-chlorophenyl)-4-(4-methylphenyl)sulfonyl-6-heptynoic acid IUPAC Name: 7-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylhept-6-ynoic acid Traditional Name: 7-(2-chlorophenyl)-4-tosyl-hept-6-ynoic acid Formula: C20H19ClO4S MolecularWeight: 390.88046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)O)CC#CC2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)O)CC#CC2=CC=CC=C2Cl

InChI

InChI=1S/C20H19ClO4S/c1-15-9-11-18(12-10-15)26(24,25)17(13-14-20(22)23)7-4-6-16-5-2-3-8-19(16)21/h2-3,5,8-12,17H,7,13-14H2,1H3,(H,22,23)