5-(5-chloranyl-2-methoxy-phenyl)-2-(4-methylphenyl)sulfonyl-pent-4-ynoic acid

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-2-(4-methylphenyl)sulfonyl-pent-4-ynoic acid Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-2-(p-tolylsulfonyl)pent-4-ynoic acid CAS Name: 5-(5-chloro-2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-4-pentynoic acid IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-2-(4-methylphenyl)sulfonylpent-4-ynoic acid Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-2-tosyl-pent-4-ynoic acid Formula: C19H17ClO5S MolecularWeight: 392.85328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClO5S/c1-13-6-9-16(10-7-13)26(23,24)18(19(21)22)5-3-4-14-12-15(20)8-11-17(14)25-2/h6-12,18H,5H2,1-2H3,(H,21,22)